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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4411 | 25523-97-1 |
| Dose | Unit | Route |
|---|---|---|
| 6 | mg | O |
| 6 | mg | P |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 3 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.592 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.406 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 30.690 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 29.785 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 46.550 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 57.150 | % | High | 1 |
| herg | hERG pIC50 | 5.375 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 4.093 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 11.482 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 50.580 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MET,NTRK2,PDK2,PDK4,PDPK1,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 44 | |||
| kinase-selectivity-class | AKT2,AKT3,AXL,EIF2AK3,PDK4,PRKCD,STK33 | 7 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.490 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.306 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 87.498 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 45.070 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.038 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 64.380 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 1.854 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 84.528 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 75.300 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 46.720 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 950.605 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 14, 1981 | FDA |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Erythema | 384.43 | 26.33 | 269 | 10179 | 228977 | 90389022 |
| Cytokine release syndrome | 317.87 | 26.33 | 120 | 10328 | 27853 | 90590146 |
| Infusion related reaction | 200.76 | 26.33 | 243 | 10205 | 416537 | 90201462 |
| Anaphylactic shock | 199.38 | 26.33 | 89 | 10359 | 31528 | 90586471 |
| Febrile neutropenia | 170.36 | 26.33 | 143 | 10305 | 158206 | 90459793 |
| Hepatocellular injury | 168.25 | 26.33 | 77 | 10371 | 28881 | 90589118 |
| Rash maculo-papular | 151.43 | 26.33 | 80 | 10368 | 40853 | 90577146 |
| Oxygen saturation decreased | 115.34 | 26.33 | 97 | 10351 | 107386 | 90510613 |
| Hypersensitivity | 100.30 | 26.33 | 184 | 10264 | 454493 | 90163506 |
| Sense of oppression | 96.76 | 26.33 | 23 | 10425 | 1077 | 90616922 |
| Neutropenia | 88.68 | 26.33 | 119 | 10329 | 224785 | 90393214 |
| Pyrexia | 88.43 | 26.33 | 218 | 10230 | 660267 | 89957732 |
| Neutrophil count decreased | 88.14 | 26.33 | 70 | 10378 | 71462 | 90546537 |
| Anaphylactic reaction | 77.80 | 26.33 | 71 | 10377 | 87453 | 90530546 |
| Hypotension | 74.56 | 26.33 | 134 | 10314 | 325263 | 90292736 |
| Fatigue | 70.26 | 26.33 | 23 | 10425 | 1154000 | 89463999 |
| Bronchospasm | 66.85 | 26.33 | 37 | 10411 | 20672 | 90597327 |
| Dyspnoea | 64.57 | 26.33 | 235 | 10213 | 880720 | 89737279 |
| Hepatic cytolysis | 62.78 | 26.33 | 41 | 10407 | 30875 | 90587124 |
| Lymphopenia | 60.78 | 26.33 | 36 | 10412 | 22845 | 90595154 |
| Febrile bone marrow aplasia | 60.02 | 26.33 | 27 | 10421 | 9711 | 90608288 |
| Chest discomfort | 57.22 | 26.33 | 75 | 10373 | 138290 | 90479709 |
| Hyperthermia | 55.38 | 26.33 | 26 | 10422 | 10309 | 90607690 |
| Type I hypersensitivity | 55.13 | 26.33 | 20 | 10428 | 4135 | 90613864 |
| Anaphylactoid reaction | 53.72 | 26.33 | 20 | 10428 | 4448 | 90613551 |
| Face oedema | 52.48 | 26.33 | 33 | 10415 | 23285 | 90594714 |
| Tachycardia | 51.06 | 26.33 | 76 | 10372 | 157597 | 90460402 |
| Serum sickness | 50.57 | 26.33 | 18 | 10430 | 3524 | 90614475 |
| Hepatic function abnormal | 50.05 | 26.33 | 42 | 10406 | 46246 | 90571753 |
| Chills | 49.16 | 26.33 | 68 | 10380 | 131913 | 90486086 |
| Toxic skin eruption | 47.69 | 26.33 | 27 | 10421 | 15747 | 90602252 |
| Drug ineffective | 47.61 | 26.33 | 54 | 10394 | 1384244 | 89233755 |
| Pain | 46.30 | 26.33 | 29 | 10419 | 996312 | 89621687 |
| Platelet count decreased | 44.31 | 26.33 | 66 | 10382 | 136903 | 90481096 |
| Cytomegalovirus infection | 43.82 | 26.33 | 31 | 10417 | 26571 | 90591428 |
| Hypoxia | 42.65 | 26.33 | 47 | 10401 | 72352 | 90545647 |
| Endocrine toxicity | 42.32 | 26.33 | 7 | 10441 | 46 | 90617953 |
| Diffuse large B-cell lymphoma refractory | 41.00 | 26.33 | 13 | 10435 | 1787 | 90616212 |
| Immune effector cell-associated neurotoxicity syndrome | 38.78 | 26.33 | 17 | 10431 | 5751 | 90612248 |
| Abdominal discomfort | 38.16 | 26.33 | 5 | 10443 | 477323 | 90140676 |
| Drug intolerance | 37.48 | 26.33 | 4 | 10444 | 447587 | 90170412 |
| Acute polyneuropathy | 37.24 | 26.33 | 9 | 10439 | 452 | 90617547 |
| Swelling | 37.07 | 26.33 | 3 | 10445 | 419055 | 90198944 |
| Hypogammaglobulinaemia | 37.01 | 26.33 | 20 | 10428 | 10654 | 90607345 |
| Peripheral sensory neuropathy | 36.81 | 26.33 | 19 | 10429 | 9231 | 90608768 |
| Livedo reticularis | 36.23 | 26.33 | 14 | 10434 | 3445 | 90614554 |
| Thrombocytopenia | 34.45 | 26.33 | 75 | 10373 | 208650 | 90409349 |
| Organising pneumonia | 34.31 | 26.33 | 17 | 10431 | 7580 | 90610419 |
| Mixed liver injury | 34.25 | 26.33 | 17 | 10431 | 7606 | 90610393 |
| Oropharyngeal discomfort | 34.02 | 26.33 | 17 | 10431 | 7718 | 90610281 |
| Peripheral swelling | 33.81 | 26.33 | 4 | 10444 | 413102 | 90204897 |
| Cholestasis | 33.31 | 26.33 | 30 | 10418 | 36269 | 90581730 |
| Drug reaction with eosinophilia and systemic symptoms | 32.82 | 26.33 | 32 | 10416 | 42726 | 90575273 |
| Wrong patient received product | 32.64 | 26.33 | 13 | 10435 | 3464 | 90614535 |
| Cryoglobulinaemia | 32.21 | 26.33 | 9 | 10439 | 801 | 90617198 |
| White blood cell count decreased | 32.20 | 26.33 | 64 | 10384 | 167045 | 90450954 |
| Enterocolitis | 31.83 | 26.33 | 18 | 10430 | 10472 | 90607527 |
| Agranulocytosis | 30.30 | 26.33 | 28 | 10420 | 34974 | 90583025 |
| Pruritus | 30.26 | 26.33 | 133 | 10315 | 541392 | 90076607 |
| Hypothermia | 30.02 | 26.33 | 20 | 10428 | 15555 | 90602444 |
| Weight increased | 29.77 | 26.33 | 6 | 10442 | 417921 | 90200078 |
| Venous oxygen saturation increased | 29.59 | 26.33 | 5 | 10443 | 38 | 90617961 |
| Interstitial lung disease | 29.38 | 26.33 | 40 | 10408 | 76365 | 90541634 |
| Skin reaction | 29.13 | 26.33 | 21 | 10427 | 18532 | 90599467 |
| Feeling hot | 28.74 | 26.33 | 40 | 10408 | 77968 | 90540031 |
| Capillary leak syndrome | 28.27 | 26.33 | 11 | 10437 | 2756 | 90615243 |
| Psychiatric decompensation | 28.22 | 26.33 | 10 | 10438 | 1933 | 90616066 |
| Alopecia | 28.07 | 26.33 | 11 | 10437 | 495060 | 90122939 |
| Cardiac failure | 27.47 | 26.33 | 47 | 10401 | 109449 | 90508550 |
| Persecutory delusion | 26.69 | 26.33 | 11 | 10437 | 3197 | 90614802 |
| Angioedema | 26.53 | 26.33 | 35 | 10413 | 64841 | 90553158 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Cytokine release syndrome | 458.23 | 21.81 | 224 | 10604 | 44303 | 42566204 |
| Infusion related reaction | 198.18 | 21.81 | 146 | 10682 | 60660 | 42549847 |
| Febrile neutropenia | 167.30 | 21.81 | 220 | 10608 | 185483 | 42425024 |
| Febrile bone marrow aplasia | 163.67 | 21.81 | 70 | 10758 | 10111 | 42600396 |
| Pyrexia | 148.37 | 21.81 | 315 | 10513 | 393727 | 42216780 |
| Hypogammaglobulinaemia | 146.97 | 21.81 | 68 | 10760 | 11823 | 42598684 |
| Erythema | 145.88 | 21.81 | 158 | 10670 | 108635 | 42501872 |
| Neutropenia | 126.32 | 21.81 | 200 | 10628 | 199231 | 42411276 |
| Hypersensitivity | 101.98 | 21.81 | 108 | 10720 | 72262 | 42538245 |
| Blood immunoglobulin G decreased | 100.55 | 21.81 | 33 | 10795 | 2281 | 42608226 |
| Anaphylactic shock | 86.84 | 21.81 | 61 | 10767 | 23456 | 42587051 |
| Alveolar lung disease | 77.78 | 21.81 | 19 | 10809 | 443 | 42610064 |
| Pulmonary interstitial emphysema syndrome | 74.05 | 21.81 | 19 | 10809 | 544 | 42609963 |
| Fibrin D dimer increased | 63.10 | 21.81 | 29 | 10799 | 4956 | 42605551 |
| Fatigue | 62.24 | 21.81 | 17 | 10811 | 435624 | 42174883 |
| Generalised oedema | 61.83 | 21.81 | 42 | 10786 | 15294 | 42595213 |
| Neutrophil count decreased | 58.17 | 21.81 | 76 | 10752 | 63339 | 42547168 |
| Eosinophilia | 55.21 | 21.81 | 54 | 10774 | 32845 | 42577662 |
| Hyperthermia | 54.44 | 21.81 | 36 | 10792 | 12538 | 42597969 |
| Diffuse alveolar damage | 48.95 | 21.81 | 20 | 10808 | 2572 | 42607935 |
| Drug ineffective | 47.94 | 21.81 | 54 | 10774 | 630143 | 41980364 |
| Septic shock | 47.22 | 21.81 | 84 | 10744 | 91588 | 42518919 |
| Toxicity to various agents | 46.46 | 21.81 | 3 | 10825 | 229133 | 42381374 |
| Hypotension | 45.33 | 21.81 | 156 | 10672 | 257475 | 42353032 |
| Oesophagitis | 43.77 | 21.81 | 34 | 10794 | 15213 | 42595294 |
| Blood immunoglobulin A decreased | 43.00 | 21.81 | 13 | 10815 | 686 | 42609821 |
| Chills | 41.92 | 21.81 | 81 | 10747 | 93985 | 42516522 |
| Hyperammonaemia | 40.19 | 21.81 | 25 | 10803 | 7841 | 42602666 |
| Rash maculo-papular | 39.21 | 21.81 | 48 | 10780 | 37455 | 42573052 |
| Tumour lysis syndrome | 38.24 | 21.81 | 37 | 10791 | 22194 | 42588313 |
| Face oedema | 38.20 | 21.81 | 30 | 10798 | 13636 | 42596871 |
| Sense of oppression | 36.99 | 21.81 | 11 | 10817 | 548 | 42609959 |
| Immune effector cell-associated neurotoxicity syndrome | 35.98 | 21.81 | 25 | 10803 | 9436 | 42601071 |
| Thrombocytopenia | 34.98 | 21.81 | 117 | 10711 | 190162 | 42420345 |
| Platelet count decreased | 34.67 | 21.81 | 95 | 10733 | 138486 | 42472021 |
| Urticaria | 34.51 | 21.81 | 65 | 10763 | 73971 | 42536536 |
| Necrotising retinitis | 34.18 | 21.81 | 12 | 10816 | 1018 | 42609489 |
| Eosinophilic pneumonia | 34.14 | 21.81 | 19 | 10809 | 4855 | 42605652 |
| Interstitial lung disease | 33.05 | 21.81 | 66 | 10762 | 78396 | 42532111 |
| Drug interaction | 31.87 | 21.81 | 14 | 10814 | 266985 | 42343522 |
| Kounis syndrome | 31.72 | 21.81 | 16 | 10812 | 3352 | 42607155 |
| Oxygen saturation decreased | 31.66 | 21.81 | 58 | 10770 | 64629 | 42545878 |
| Cytomegalovirus test positive | 30.70 | 21.81 | 17 | 10811 | 4302 | 42606205 |
| Anaphylactic reaction | 29.89 | 21.81 | 45 | 10783 | 42698 | 42567809 |
| Cardiac ventricular disorder | 29.66 | 21.81 | 8 | 10820 | 279 | 42610228 |
| Type I hypersensitivity | 28.67 | 21.81 | 13 | 10815 | 2153 | 42608354 |
| Staphylococcal bacteraemia | 28.07 | 21.81 | 23 | 10805 | 11098 | 42599409 |
| Disseminated intravascular coagulation | 27.98 | 21.81 | 33 | 10795 | 24761 | 42585746 |
| Acute coronary syndrome | 27.96 | 21.81 | 26 | 10802 | 14839 | 42595668 |
| Rash | 26.22 | 21.81 | 139 | 10689 | 276815 | 42333692 |
| C-reactive protein increased | 26.20 | 21.81 | 53 | 10775 | 63507 | 42547000 |
| Escherichia sepsis | 26.20 | 21.81 | 17 | 10811 | 5730 | 42604777 |
| Product dose omission issue | 26.14 | 21.81 | 4 | 10824 | 154361 | 42456146 |
| Abdominal compartment syndrome | 26.02 | 21.81 | 10 | 10818 | 1095 | 42609412 |
| Hepatic encephalopathy | 25.74 | 21.81 | 26 | 10802 | 16416 | 42594091 |
| Tumour flare | 25.60 | 21.81 | 10 | 10818 | 1143 | 42609364 |
| Bronchospasm | 25.13 | 21.81 | 23 | 10805 | 12862 | 42597645 |
| Malaise | 24.71 | 21.81 | 113 | 10715 | 212043 | 42398464 |
| Pain in extremity | 23.14 | 21.81 | 5 | 10823 | 150599 | 42459908 |
| Bronchitis | 22.68 | 21.81 | 42 | 10786 | 47159 | 42563348 |
| Sepsis | 22.34 | 21.81 | 105 | 10723 | 199229 | 42411278 |
| Anaphylactoid reaction | 21.91 | 21.81 | 12 | 10816 | 2971 | 42607536 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Cytokine release syndrome | 768.69 | 20.61 | 340 | 21172 | 69966 | 110497821 |
| Erythema | 478.86 | 20.61 | 419 | 21093 | 291028 | 110276759 |
| Infusion related reaction | 333.94 | 20.61 | 390 | 21122 | 380772 | 110187015 |
| Febrile neutropenia | 321.51 | 20.61 | 350 | 21162 | 316417 | 110251370 |
| Anaphylactic shock | 252.82 | 20.61 | 145 | 21367 | 51401 | 110516386 |
| Pyrexia | 225.75 | 20.61 | 521 | 20991 | 897744 | 109670043 |
| Neutropenia | 223.32 | 20.61 | 317 | 21195 | 374303 | 110193484 |
| Febrile bone marrow aplasia | 185.80 | 20.61 | 83 | 21429 | 17382 | 110550405 |
| Hypogammaglobulinaemia | 180.89 | 20.61 | 85 | 21427 | 19991 | 110547796 |
| Rash maculo-papular | 166.06 | 20.61 | 128 | 21384 | 74094 | 110493693 |
| Hypersensitivity | 157.87 | 20.61 | 282 | 21230 | 403716 | 110164071 |
| Neutrophil count decreased | 149.93 | 20.61 | 149 | 21363 | 120792 | 110446995 |
| Hepatocellular injury | 146.46 | 20.61 | 102 | 21410 | 50540 | 110517247 |
| Fatigue | 129.97 | 20.61 | 38 | 21474 | 1215920 | 109351867 |
| Sense of oppression | 124.92 | 20.61 | 34 | 21478 | 1614 | 110566173 |
| Oxygen saturation decreased | 124.45 | 20.61 | 153 | 21359 | 156829 | 110410958 |
| Hypotension | 111.85 | 20.61 | 286 | 21226 | 523563 | 110044224 |
| Hyperthermia | 104.66 | 20.61 | 60 | 21452 | 21212 | 110546575 |
| Chills | 95.64 | 20.61 | 149 | 21363 | 190431 | 110377356 |
| Anaphylactic reaction | 94.77 | 20.61 | 114 | 21398 | 114186 | 110453601 |
| Blood immunoglobulin G decreased | 88.79 | 20.61 | 35 | 21477 | 5365 | 110562422 |
| Platelet count decreased | 86.17 | 20.61 | 158 | 21354 | 230285 | 110337502 |
| Drug ineffective | 81.85 | 20.61 | 106 | 21406 | 1520434 | 109047353 |
| Pulmonary interstitial emphysema syndrome | 78.69 | 20.61 | 19 | 21493 | 556 | 110567231 |
| Type I hypersensitivity | 76.46 | 20.61 | 33 | 21479 | 6360 | 110561427 |
| Immune effector cell-associated neurotoxicity syndrome | 76.23 | 20.61 | 43 | 21469 | 14739 | 110553048 |
| Alveolar lung disease | 74.47 | 20.61 | 19 | 21493 | 700 | 110567087 |
| Toxicity to various agents | 74.02 | 20.61 | 5 | 21507 | 480550 | 110087237 |
| Thrombocytopenia | 72.79 | 20.61 | 189 | 21323 | 348696 | 110219091 |
| Anaphylactoid reaction | 71.18 | 20.61 | 32 | 21480 | 6794 | 110560993 |
| Face oedema | 71.08 | 20.61 | 56 | 21456 | 33413 | 110534374 |
| Bronchospasm | 69.45 | 20.61 | 53 | 21459 | 30186 | 110537601 |
| Septic shock | 69.23 | 20.61 | 116 | 21396 | 157412 | 110410375 |
| Hepatic function abnormal | 67.45 | 20.61 | 85 | 21427 | 89210 | 110478577 |
| Serum sickness | 67.03 | 20.61 | 27 | 21485 | 4379 | 110563408 |
| Tumour lysis syndrome | 66.41 | 20.61 | 52 | 21460 | 30749 | 110537038 |
| Fibrin D dimer increased | 65.74 | 20.61 | 34 | 21478 | 9811 | 110557976 |
| Peripheral swelling | 62.81 | 20.61 | 4 | 21508 | 404030 | 110163757 |
| Diffuse large B-cell lymphoma refractory | 62.18 | 20.61 | 22 | 21490 | 2499 | 110565288 |
| Eosinophilia | 62.00 | 20.61 | 66 | 21446 | 57870 | 110509917 |
| Pain | 61.81 | 20.61 | 57 | 21455 | 954898 | 109612889 |
| Interstitial lung disease | 60.42 | 20.61 | 102 | 21410 | 139232 | 110428555 |
| Hypoxia | 59.08 | 20.61 | 97 | 21415 | 129418 | 110438369 |
| Hepatic cytolysis | 55.90 | 20.61 | 61 | 21451 | 54992 | 110512795 |
| Cytomegalovirus infection | 54.71 | 20.61 | 60 | 21452 | 54384 | 110513403 |
| Dyspnoea | 54.15 | 20.61 | 384 | 21128 | 1106488 | 109461299 |
| White blood cell count decreased | 53.80 | 20.61 | 130 | 21382 | 229260 | 110338527 |
| Swelling | 53.03 | 20.61 | 4 | 21508 | 351037 | 110216750 |
| Lymphopenia | 52.53 | 20.61 | 51 | 21461 | 40119 | 110527668 |
| Toxic skin eruption | 51.98 | 20.61 | 43 | 21469 | 27472 | 110540315 |
| Tachycardia | 49.51 | 20.61 | 125 | 21387 | 226520 | 110341267 |
| Arthralgia | 48.69 | 20.61 | 48 | 21464 | 779584 | 109788203 |
| Drug intolerance | 48.51 | 20.61 | 10 | 21502 | 406502 | 110161285 |
| Oesophagitis | 48.35 | 20.61 | 42 | 21470 | 28673 | 110539114 |
| Generalised oedema | 47.89 | 20.61 | 43 | 21469 | 30661 | 110537126 |
| Product dose omission issue | 47.67 | 20.61 | 4 | 21508 | 321778 | 110246009 |
| Diffuse alveolar damage | 45.50 | 20.61 | 20 | 21492 | 4027 | 110563760 |
| Abdominal discomfort | 44.36 | 20.61 | 11 | 21501 | 393847 | 110173940 |
| Pain in extremity | 43.77 | 20.61 | 20 | 21492 | 487098 | 110080689 |
| Cytomegalovirus test positive | 43.28 | 20.61 | 23 | 21489 | 7013 | 110560774 |
| Enterocolitis | 43.04 | 20.61 | 33 | 21479 | 18916 | 110548871 |
| Hyperammonaemia | 42.85 | 20.61 | 29 | 21483 | 13703 | 110554084 |
| Sepsis | 42.37 | 20.61 | 150 | 21362 | 327196 | 110240591 |
| Urticaria | 42.04 | 20.61 | 147 | 21365 | 318710 | 110249077 |
| Weight increased | 41.32 | 20.61 | 15 | 21497 | 419629 | 110148158 |
| Mucosal inflammation | 41.16 | 20.61 | 70 | 21442 | 96071 | 110471716 |
| Disseminated intravascular coagulation | 40.61 | 20.61 | 45 | 21467 | 41241 | 110526546 |
| Acute coronary syndrome | 39.31 | 20.61 | 34 | 21478 | 23078 | 110544709 |
| Kounis syndrome | 38.24 | 20.61 | 20 | 21492 | 5905 | 110561882 |
| Sinusitis | 38.19 | 20.61 | 6 | 21506 | 296682 | 110271105 |
| Oropharyngeal discomfort | 37.55 | 20.61 | 24 | 21488 | 10303 | 110557484 |
| Hypothermia | 37.44 | 20.61 | 35 | 21477 | 26267 | 110541520 |
| Contraindicated product administered | 37.01 | 20.61 | 3 | 21509 | 248264 | 110319523 |
| Malaise | 36.24 | 20.61 | 239 | 21273 | 671580 | 109896207 |
| Chest discomfort | 36 | 20.61 | 94 | 21418 | 173754 | 110394033 |
| Triple negative breast cancer | 35.82 | 20.61 | 10 | 21502 | 522 | 110567265 |
| Peripheral sensory neuropathy | 35.61 | 20.61 | 28 | 21484 | 16652 | 110551135 |
| Pruritus | 35.14 | 20.61 | 213 | 21299 | 581347 | 109986440 |
| Endocrine toxicity | 35.11 | 20.61 | 7 | 21505 | 81 | 110567706 |
| Livedo reticularis | 33.87 | 20.61 | 18 | 21494 | 5488 | 110562299 |
| Haemophagocytic lymphohistiocytosis | 33.84 | 20.61 | 36 | 21476 | 31523 | 110536264 |
| Therapeutic product effect decreased | 33.67 | 20.61 | 4 | 21508 | 244312 | 110323475 |
| Pancytopenia | 33.31 | 20.61 | 103 | 21409 | 209510 | 110358277 |
| Acute pulmonary oedema | 33.02 | 20.61 | 27 | 21485 | 16969 | 110550818 |
| Condition aggravated | 32.79 | 20.61 | 58 | 21454 | 734778 | 109833009 |
| Alopecia | 32.72 | 20.61 | 15 | 21497 | 364738 | 110203049 |
| Necrotising retinitis | 32.17 | 20.61 | 12 | 21500 | 1584 | 110566203 |
| Eosinophilic pneumonia | 31.89 | 20.61 | 19 | 21493 | 7208 | 110560579 |
| Upper respiratory tract inflammation | 31.81 | 20.61 | 16 | 21496 | 4355 | 110563432 |
| Hypertension | 31.55 | 20.61 | 188 | 21324 | 509896 | 110057891 |
| Blood immunoglobulin A decreased | 31.54 | 20.61 | 13 | 21499 | 2235 | 110565552 |
| Cardiac failure | 31.50 | 20.61 | 94 | 21418 | 187532 | 110380255 |
| Hypoalbuminaemia | 30.98 | 20.61 | 33 | 21479 | 28941 | 110538846 |
| Gastrointestinal disorder | 30.90 | 20.61 | 5 | 21507 | 241947 | 110325840 |
| Cardiac ventricular disorder | 30.18 | 20.61 | 8 | 21504 | 343 | 110567444 |
| Dizziness | 29.47 | 20.61 | 57 | 21455 | 698136 | 109869651 |
| Musculoskeletal stiffness | 29.28 | 20.61 | 9 | 21503 | 279813 | 110287974 |
| Agranulocytosis | 29.16 | 20.61 | 47 | 21465 | 61713 | 110506074 |
| Acute kidney injury | 28.94 | 20.61 | 217 | 21295 | 635213 | 109932574 |
| Tumour flare | 28.75 | 20.61 | 11 | 21501 | 1556 | 110566231 |
| Erythrosis | 28.57 | 20.61 | 7 | 21505 | 218 | 110567569 |
| Feeling hot | 28.53 | 20.61 | 58 | 21454 | 91048 | 110476739 |
| Escherichia sepsis | 28.08 | 20.61 | 20 | 21492 | 10252 | 110557535 |
| Acute polyneuropathy | 28.04 | 20.61 | 9 | 21503 | 759 | 110567028 |
| Contusion | 27.29 | 20.61 | 6 | 21506 | 233355 | 110334432 |
| Venous oxygen saturation increased | 26.98 | 20.61 | 5 | 21507 | 38 | 110567749 |
| COVID-19 | 26.46 | 20.61 | 106 | 21406 | 244954 | 110322833 |
| Cardio-respiratory arrest | 26.44 | 20.61 | 65 | 21447 | 115771 | 110452016 |
| Organising pneumonia | 26.36 | 20.61 | 22 | 21490 | 14221 | 110553566 |
| Erythema multiforme | 26.12 | 20.61 | 26 | 21486 | 21071 | 110546716 |
| Petit mal epilepsy | 26.11 | 20.61 | 17 | 21495 | 7530 | 110560257 |
| Anaemia | 25.56 | 20.61 | 188 | 21324 | 546898 | 110020889 |
| Blood cholesterol increased | 25.52 | 20.61 | 3 | 21509 | 184782 | 110383005 |
| Staphylococcal bacteraemia | 25.29 | 20.61 | 23 | 21489 | 16665 | 110551122 |
| Cholestasis | 25.04 | 20.61 | 45 | 21467 | 64473 | 110503314 |
| Pericarditis | 24.89 | 20.61 | 6 | 21506 | 219108 | 110348679 |
| Aspartate aminotransferase increased | 24.86 | 20.61 | 78 | 21434 | 159858 | 110407929 |
| Capillary leak syndrome | 24.55 | 20.61 | 14 | 21498 | 4894 | 110562893 |
| Asthma | 24.53 | 20.61 | 9 | 21503 | 250282 | 110317505 |
| Blister | 24.36 | 20.61 | 7 | 21505 | 227369 | 110340418 |
| Diffuse large B-cell lymphoma | 24.27 | 20.61 | 22 | 21490 | 15876 | 110551911 |
| Skin reaction | 24.24 | 20.61 | 25 | 21487 | 21119 | 110546668 |
| Larynx irritation | 24.04 | 20.61 | 6 | 21506 | 202 | 110567585 |
| Hyperamylasaemia | 23.95 | 20.61 | 9 | 21503 | 1212 | 110566575 |
| Therapeutic product effect incomplete | 23.77 | 20.61 | 7 | 21505 | 223798 | 110343989 |
| Maternal exposure during pregnancy | 23.61 | 20.61 | 10 | 21502 | 254873 | 110312914 |
| Cryoglobulinaemia | 23.55 | 20.61 | 9 | 21503 | 1270 | 110566517 |
| Cyanosis | 23.55 | 20.61 | 29 | 21483 | 29712 | 110538075 |
| Hepatic enzyme increased | 23.36 | 20.61 | 17 | 21495 | 320875 | 110246912 |
| Off label use | 23.32 | 20.61 | 415 | 21097 | 1499770 | 109068017 |
| Abdominal compartment syndrome | 23.22 | 20.61 | 10 | 21502 | 1917 | 110565870 |
| Migraine | 23.18 | 20.61 | 3 | 21509 | 171649 | 110396138 |
| Haemophilus bacteraemia | 23.16 | 20.61 | 6 | 21506 | 235 | 110567552 |
| Hepatic encephalopathy | 23.10 | 20.61 | 28 | 21484 | 28228 | 110539559 |
| Meningitis noninfective | 23.04 | 20.61 | 6 | 21506 | 240 | 110567547 |
| Depression | 22.85 | 20.61 | 17 | 21495 | 317318 | 110250469 |
| Osteoarthritis | 22.81 | 20.61 | 4 | 21508 | 182619 | 110385168 |
| Nasopharyngitis | 22.64 | 20.61 | 26 | 21486 | 394335 | 110173452 |
| Arthritis | 22.46 | 20.61 | 3 | 21509 | 167583 | 110400204 |
| Duodenal ulcer perforation | 21.96 | 20.61 | 4 | 21508 | 177696 | 110390091 |
| Rash | 21.94 | 20.61 | 250 | 21262 | 820714 | 109747073 |
| Drug reaction with eosinophilia and systemic symptoms | 21.93 | 20.61 | 49 | 21463 | 82046 | 110485741 |
| Hot flush | 21.82 | 20.61 | 43 | 21469 | 65993 | 110501794 |
| Dry mouth | 21.71 | 20.61 | 6 | 21506 | 199942 | 110367845 |
| Treatment failure | 21.09 | 20.61 | 14 | 21498 | 277220 | 110290567 |
| Alanine aminotransferase increased | 21.05 | 20.61 | 81 | 21431 | 183692 | 110384095 |
| Fall | 20.78 | 20.61 | 55 | 21457 | 603427 | 109964360 |
| Anxiety | 20.63 | 20.61 | 22 | 21490 | 345056 | 110222731 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R06AB02 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Substituted alkylamines |
| ATC | R06AB52 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Substituted alkylamines |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D006634 | Histamine H1 Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018494 | Histamine Agents |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| CHEBI has role | CHEBI:50857 | anti-allergic agent |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Dermatographic urticaria | indication | 7632005 | DOID:743 |
| Vasomotor rhinitis | indication | 8229003 | DOID:4730 |
| Allergic rhinitis | indication | 61582004 | |
| Urticaria | indication | 126485001 | |
| Seasonal allergic rhinitis | indication | 367498001 | |
| Itching of skin | indication | 418363000 | |
| Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
| Brain damage | contraindication | 2470005 | |
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Tachyarrhythmia | contraindication | 6285003 | |
| Suicidal thoughts | contraindication | 6471006 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Urinary tract obstruction | contraindication | 7163005 | DOID:5200 |
| Alcoholism | contraindication | 7200002 | |
| Alcohol withdrawal delirium | contraindication | 8635005 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Asthenia | contraindication | 13791008 | |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Constipation | contraindication | 14760008 | DOID:2089 |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Mood swings | contraindication | 18963009 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Ventricular tachycardia | contraindication | 25569003 | |
| Alcohol intoxication | contraindication | 25702006 | |
| Shock | contraindication | 27942005 | |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Hypercapnia | contraindication | 29596007 | |
| Dehydration | contraindication | 34095006 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Acute hepatitis | contraindication | 37871000 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Complete trisomy 21 syndrome | contraindication | 41040004 | DOID:14250 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Bradycardia | contraindication | 48867003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Acidosis | contraindication | 51387008 | |
| Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Peptic reflux disease | contraindication | 57643001 | |
| Hepatic failure | contraindication | 59927004 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Arterial thrombosis | contraindication | 65198009 | |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Substance abuse | contraindication | 66214007 | |
| Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
| Poisoning by acetaminophen | contraindication | 70273001 | |
| Arteriosclerotic vascular disease | contraindication | 72092001 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Urethral stricture | contraindication | 76618002 | |
| Spastic paralysis | contraindication | 78403003 | |
| Disturbance of salivary secretion | contraindication | 78948009 | |
| Decreased respiratory function | contraindication | 80954004 | |
| Injury of head | contraindication | 82271004 | |
| Chronic idiopathic constipation | contraindication | 82934008 | |
| Cor pulmonale | contraindication | 83291003 | DOID:8515 |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Pulmonary emphysema | contraindication | 87433001 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Acute abdominal pain | contraindication | 116290004 | |
| Procedure on urinary system | contraindication | 118677009 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Neoplasm of brain | contraindication | 126952004 | DOID:1319 |
| Seizure disorder | contraindication | 128613002 | |
| Autonomic dysreflexia | contraindication | 129618003 | |
| Bleeding | contraindication | 131148009 | |
| Drug-induced psychosis | contraindication | 191483003 | DOID:1742 |
| Partial atrioventricular block | contraindication | 195039008 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Myocardial dysfunction | contraindication | 233928007 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Morbid obesity | contraindication | 238136002 | DOID:11981 |
| Pyloric obstruction | contraindication | 244815007 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Drowsy | contraindication | 271782001 | |
| Exacerbation of asthma | contraindication | 281239006 | |
| Lesion of brain | contraindication | 301766008 | |
| Coma | contraindication | 371632003 | |
| Primary adrenocortical insufficiency | contraindication | 373662000 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Hypoxia | contraindication | 389086002 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Chronic lung disease | contraindication | 413839001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Central nervous system depression | contraindication | 418072004 | |
| Ultrarapid metabolizer due to cytochrome p450 CYP2D6 variant | contraindication | 422681000 | |
| Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.47 | Basic |
| pKa2 | 4.14 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | GPCR | ANTAGONIST | Ki | 9.14 | CHEMBL | CHEMBL | |||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 6.16 | DRUG MATRIX | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 7.89 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.31 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 5.98 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 5.92 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 5.68 | DRUG MATRIX | |||||
| Histamine H2 receptor | GPCR | Ki | 5.09 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 6.48 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 5.60 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | Ki | 6.26 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 6.56 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 6.13 | DRUG MATRIX | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 6.13 | DRUG MATRIX | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 4.78 | DRUG MATRIX | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 5.12 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 5.07 | DRUG MATRIX | |||||
| Membrane-associated progesterone receptor component 1 | Membrane receptor | Ki | 4.93 | DRUG MATRIX |
| ID | Source |
|---|---|
| D07803 | KEGG_DRUG |
| 4019712 | VUID |
| N0000147804 | NUI |
| 2438-32-6 | SECONDARY_CAS_RN |
| 4018792 | VANDF |
| 4019712 | VANDF |
| C0057606 | UMLSCUI |
| CHEBI:4464 | CHEBI |
| CHEMBL1201353 | ChEMBL_ID |
| CHEMBL1200927 | ChEMBL_ID |
| DB13679 | DRUGBANK_ID |
| C018904 | MESH_SUPPLEMENTAL_RECORD_UI |
| 955 | INN_ID |
| 3Q9Q0B929N | UNII |
| 33036 | PUBCHEM_CID |
| DB09555 | DRUGBANK_ID |
| 22697 | RXNORM |
| 1479 | MMSL |
| 4556 | MMSL |
| d00784 | MMSL |
| 003393 | NDDF |
| 004796 | NDDF |
| 16031005 | SNOMEDCT_US |
| 372663001 | SNOMEDCT_US |
| 68680008 | SNOMEDCT_US |
| 1210 | IUPHAR_LIGAND_ID |
| 3Q9Q0B929N | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| RYMED | HUMAN OTC DRUG LABEL | 2 | 0485-0080 | TABLET, COATED | 2 mg | ORAL | OTC Monograph Drug | 16 sections |
| RYCLORA | HUMAN PRESCRIPTION DRUG LABEL | 1 | 15370-150 | LIQUID | 2 mg | ORAL | ANDA | 13 sections |
| POLY-HIST DM | HUMAN OTC DRUG LABEL | 2 | 50991-271 | LIQUID | 1 mg | ORAL | OTC Monograph Drug | 9 sections |
| DELTUSS DMX Cough Suppressant Nasal Decongestant Antihistamine GRAPE Flavor | HUMAN OTC DRUG LABEL | 3 | 58238-225 | LIQUID | 1 mg | ORAL | OTC monograph final | 16 sections |
| DELTUSS DP Nasal Decongestant Antihistamine CHERRY Flavor | HUMAN OTC DRUG LABEL | 2 | 58238-226 | LIQUID | 1 mg | ORAL | OTC monograph final | 16 sections |
| VanaCof 2 | HUMAN OTC DRUG LABEL | 2 | 58809-190 | SOLUTION | 1 mg | ORAL | OTC Monograph Drug | 16 sections |
| VANACOF | HUMAN OTC DRUG LABEL | 3 | 58809-999 | LIQUID | 1 mg | ORAL | OTC Monograph Drug | 16 sections |
| VANACOF | HUMAN OTC DRUG LABEL | 3 | 58809-999 | LIQUID | 1 mg | ORAL | OTC Monograph Drug | 16 sections |
| Dexchlorpheniramine Maleate, Phenylephrine HCl | HUMAN OTC DRUG LABEL | 2 | 66576-080 | TABLET | 2 mg | ORAL | OTC monograph final | 8 sections |
| PRO-REDAC | HUMAN OTC DRUG LABEL | 3 | 66594-499 | SYRUP | 1 mg | ORAL | OTC monograph final | 16 sections |
| WesTussin DM | HUMAN OTC DRUG LABEL | 3 | 69367-334 | SYRUP | 1 mg | ORAL | OTC MONOGRAPH DRUG | 17 sections |
| Corphena | HUMAN PRESCRIPTION DRUG LABEL | 1 | 73684-300 | SOLUTION | 2 mg | ORAL | ANDA | 13 sections |