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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1752 | 60-99-1 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | O |
| 0.10 | g | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 12 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 9.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 30 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.128 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.468 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 28.379 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 97.275 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 3.510 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 10.670 | % | High | 1 |
| herg | hERG pIC50 | 5.999 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 15.417 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 29.648 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 4.510 | % | High | 1 |
| kinase-safety-class | ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 40 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.374 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 186.638 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 5.180 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.109 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 15.790 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 237.137 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 33.180 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 5.060 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 318.420 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | IMMUNEX |
| 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 |
|---|---|---|---|---|---|---|
| Intentional overdose | 308.47 | 24.49 | 162 | 9001 | 93672 | 90525612 |
| Suicide attempt | 284.85 | 24.49 | 143 | 9020 | 75256 | 90544028 |
| Toxicity to various agents | 235.92 | 24.49 | 210 | 8953 | 287636 | 90331648 |
| Somnolence | 232.39 | 24.49 | 182 | 8981 | 208902 | 90410382 |
| Drug interaction | 199.69 | 24.49 | 188 | 8975 | 276265 | 90343019 |
| Electrocardiogram QT prolonged | 187.79 | 24.49 | 107 | 9056 | 72349 | 90546935 |
| Intentional self-injury | 186.88 | 24.49 | 80 | 9083 | 29254 | 90590030 |
| Suicidal ideation | 183.21 | 24.49 | 106 | 9057 | 73749 | 90545535 |
| Extrapyramidal disorder | 143.24 | 24.49 | 56 | 9107 | 16247 | 90603037 |
| Altered state of consciousness | 128.36 | 24.49 | 63 | 9100 | 31469 | 90587815 |
| Excessive eye blinking | 99.85 | 24.49 | 24 | 9139 | 1348 | 90617936 |
| Sopor | 93.65 | 24.49 | 47 | 9116 | 24597 | 90594687 |
| Urinary retention | 93.04 | 24.49 | 54 | 9109 | 37690 | 90581594 |
| Drug abuse | 91.88 | 24.49 | 72 | 9091 | 82275 | 90537009 |
| Neuroleptic malignant syndrome | 82.55 | 24.49 | 37 | 9126 | 15059 | 90604225 |
| Poisoning deliberate | 82.55 | 24.49 | 38 | 9125 | 16448 | 90602836 |
| Depressed level of consciousness | 81.97 | 24.49 | 64 | 9099 | 72720 | 90546564 |
| Coma | 77.77 | 24.49 | 62 | 9101 | 72570 | 90546714 |
| Overdose | 66.83 | 24.49 | 81 | 9082 | 157628 | 90461656 |
| Pneumonia aspiration | 57.23 | 24.49 | 41 | 9122 | 40899 | 90578385 |
| Hypotension | 52.39 | 24.49 | 107 | 9056 | 325290 | 90293994 |
| Aggression | 49.91 | 24.49 | 32 | 9131 | 26636 | 90592648 |
| Biliary tract infection | 47.45 | 24.49 | 12 | 9151 | 832 | 90618452 |
| Mental disorder | 46.63 | 24.49 | 33 | 9130 | 32285 | 90586999 |
| Cholangitis infective | 43.65 | 24.49 | 10 | 9153 | 455 | 90618829 |
| Flat affect | 43.34 | 24.49 | 13 | 9150 | 1698 | 90617586 |
| Agitation | 43.26 | 24.49 | 43 | 9120 | 67055 | 90552229 |
| Seizure | 42.60 | 24.49 | 64 | 9099 | 152565 | 90466719 |
| Hyperprolactinaemia | 41.91 | 24.49 | 17 | 9146 | 5416 | 90613868 |
| Cholinergic rebound syndrome | 41.14 | 24.49 | 6 | 9157 | 17 | 90619267 |
| Hallucination, auditory | 39.73 | 24.49 | 23 | 9140 | 15952 | 90603332 |
| Salivary hypersecretion | 39.48 | 24.49 | 19 | 9144 | 9073 | 90610211 |
| Depressed mood | 37.69 | 24.49 | 35 | 9128 | 50187 | 90569097 |
| Withdrawal syndrome | 37.20 | 24.49 | 25 | 9138 | 22499 | 90596785 |
| Tension | 37.16 | 24.49 | 14 | 9149 | 3668 | 90615616 |
| Joint swelling | 36.83 | 24.49 | 4 | 9159 | 503296 | 90115988 |
| Bacillus infection | 36.46 | 24.49 | 10 | 9153 | 949 | 90618335 |
| Asphyxia | 34.39 | 24.49 | 16 | 9147 | 7087 | 90612197 |
| Psychomotor retardation | 33.60 | 24.49 | 14 | 9149 | 4775 | 90614509 |
| Pulmonary embolism | 32.50 | 24.49 | 52 | 9111 | 130768 | 90488516 |
| Hypothermia | 32.43 | 24.49 | 20 | 9143 | 15555 | 90603729 |
| Intestinal obstruction | 32.05 | 24.49 | 28 | 9135 | 37103 | 90582181 |
| Vascular pain | 31.85 | 24.49 | 9 | 9154 | 953 | 90618331 |
| Adverse drug reaction | 31.22 | 24.49 | 48 | 9115 | 116653 | 90502631 |
| Galactorrhoea | 30.58 | 24.49 | 13 | 9150 | 4659 | 90614625 |
| Hyponatraemia | 30.36 | 24.49 | 51 | 9112 | 133487 | 90485797 |
| Akathisia | 30.26 | 24.49 | 17 | 9146 | 11142 | 90608142 |
| Antipsychotic drug level increased | 29.75 | 24.49 | 12 | 9151 | 3767 | 90615517 |
| Illusion | 29.42 | 24.49 | 9 | 9154 | 1255 | 90618029 |
| Diabetic hyperosmolar coma | 29.19 | 24.49 | 7 | 9156 | 389 | 90618895 |
| Bradykinesia | 28.91 | 24.49 | 14 | 9149 | 6774 | 90612510 |
| Psychiatric symptom | 28.28 | 24.49 | 14 | 9149 | 7104 | 90612180 |
| Megacolon | 28.22 | 24.49 | 10 | 9153 | 2204 | 90617080 |
| Behaviour disorder | 27.39 | 24.49 | 12 | 9151 | 4623 | 90614661 |
| Neutropenic sepsis | 27.28 | 24.49 | 19 | 9144 | 18111 | 90601173 |
| Blood prolactin increased | 26.76 | 24.49 | 11 | 9152 | 3626 | 90615658 |
| Tonic clonic movements | 26.69 | 24.49 | 9 | 9154 | 1713 | 90617571 |
| Disinhibition | 26.55 | 24.49 | 8 | 9155 | 1060 | 90618224 |
| Blood phosphorus decreased | 26.44 | 24.49 | 12 | 9151 | 5022 | 90614262 |
| Disturbance in attention | 26.39 | 24.49 | 28 | 9135 | 47081 | 90572203 |
| Product use in unapproved indication | 26.12 | 24.49 | 84 | 9079 | 336152 | 90283132 |
| Blood creatine phosphokinase increased | 26.09 | 24.49 | 24 | 9139 | 33999 | 90585285 |
| Metabolic syndrome | 25.90 | 24.49 | 9 | 9154 | 1873 | 90617411 |
| Sedation | 25.87 | 24.49 | 28 | 9135 | 48143 | 90571141 |
| Schizophrenia | 25.70 | 24.49 | 17 | 9146 | 14897 | 90604387 |
| Constipation | 25.46 | 24.49 | 74 | 9089 | 280321 | 90338963 |
| Perforation | 25.39 | 24.49 | 9 | 9154 | 1985 | 90617299 |
| Pain | 24.94 | 24.49 | 39 | 9124 | 996302 | 89622982 |
| Pruritus | 24.64 | 24.49 | 12 | 9151 | 541513 | 90077771 |
| 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 |
|---|---|---|---|---|---|---|
| Neuroleptic malignant syndrome | 191.81 | 23.94 | 91 | 8414 | 21381 | 42591449 |
| Drug abuse | 187.67 | 23.94 | 160 | 8345 | 104611 | 42508219 |
| Dystonic tremor | 132.98 | 23.94 | 27 | 8478 | 336 | 42612494 |
| Dystonia | 107.44 | 23.94 | 52 | 8453 | 12738 | 42600092 |
| Extrapyramidal disorder | 106.43 | 23.94 | 56 | 8449 | 16356 | 42596474 |
| Suicide attempt | 102.53 | 23.94 | 80 | 8425 | 46020 | 42566810 |
| Drug interaction | 99.60 | 23.94 | 185 | 8320 | 266814 | 42346016 |
| Intentional self-injury | 98.93 | 23.94 | 52 | 8453 | 15150 | 42597680 |
| Altered state of consciousness | 95.28 | 23.94 | 64 | 8441 | 29195 | 42583635 |
| Toxicity to various agents | 85.65 | 23.94 | 159 | 8346 | 228977 | 42383853 |
| Somnolence | 75.42 | 23.94 | 115 | 8390 | 140990 | 42471840 |
| Restlessness | 74.35 | 23.94 | 55 | 8450 | 29194 | 42583636 |
| Sopor | 74.26 | 23.94 | 41 | 8464 | 13161 | 42599669 |
| Miosis | 73.56 | 23.94 | 41 | 8464 | 13405 | 42599425 |
| Intentional overdose | 72.92 | 23.94 | 69 | 8436 | 51387 | 42561443 |
| Intestinal haemorrhage | 65.72 | 23.94 | 26 | 8479 | 3925 | 42608905 |
| Blood glucose fluctuation | 65.33 | 23.94 | 27 | 8478 | 4560 | 42608270 |
| Acute pulmonary oedema | 63.21 | 23.94 | 32 | 8473 | 8619 | 42604211 |
| Poisoning | 62.34 | 23.94 | 38 | 8467 | 14661 | 42598169 |
| Aggression | 62.14 | 23.94 | 59 | 8446 | 44104 | 42568726 |
| Electrocardiogram QT prolonged | 61.73 | 23.94 | 61 | 8444 | 47884 | 42564946 |
| Psychomotor hyperactivity | 58.81 | 23.94 | 33 | 8472 | 10925 | 42601905 |
| Blood creatine phosphokinase increased | 55.83 | 23.94 | 58 | 8447 | 48280 | 42564550 |
| Asphyxia | 55.63 | 23.94 | 29 | 8476 | 8297 | 42604533 |
| Sedation | 55.29 | 23.94 | 47 | 8458 | 30428 | 42582402 |
| Blood glucose abnormal | 51.27 | 23.94 | 26 | 8479 | 7027 | 42605803 |
| Sudden death | 50.83 | 23.94 | 35 | 8470 | 16594 | 42596236 |
| Wrong patient received product | 50.72 | 23.94 | 21 | 8484 | 3562 | 42609268 |
| Coma | 49.24 | 23.94 | 57 | 8448 | 53497 | 42559333 |
| Cognitive disorder | 48.72 | 23.94 | 46 | 8459 | 34126 | 42578704 |
| Schizophrenia | 44.03 | 23.94 | 27 | 8478 | 10523 | 42602307 |
| Dyspnoea | 43.61 | 23.94 | 17 | 8488 | 442604 | 42170226 |
| Parkinsonism | 41.33 | 23.94 | 26 | 8479 | 10597 | 42602233 |
| Depressed level of consciousness | 40.68 | 23.94 | 49 | 8456 | 47921 | 42564909 |
| Urinary retention | 40.60 | 23.94 | 46 | 8459 | 42168 | 42570662 |
| Urinary incontinence | 40.49 | 23.94 | 34 | 8471 | 21634 | 42591196 |
| Feelings of worthlessness | 40.48 | 23.94 | 10 | 8495 | 314 | 42612516 |
| Abulia | 37.33 | 23.94 | 11 | 8494 | 679 | 42612151 |
| Muscle contracture | 36.90 | 23.94 | 13 | 8492 | 1422 | 42611408 |
| Akathisia | 36.75 | 23.94 | 24 | 8481 | 10427 | 42602403 |
| Gastrointestinal hypermotility | 36.23 | 23.94 | 8 | 8497 | 152 | 42612678 |
| Electrocardiogram QT shortened | 35.98 | 23.94 | 8 | 8497 | 157 | 42612673 |
| Salivary hypersecretion | 35.74 | 23.94 | 24 | 8481 | 10919 | 42601911 |
| Rhabdomyolysis | 35.29 | 23.94 | 59 | 8446 | 77960 | 42534870 |
| Confusional state | 34.74 | 23.94 | 92 | 8413 | 167505 | 42445325 |
| Self-destructive behaviour | 33.95 | 23.94 | 9 | 8496 | 376 | 42612454 |
| Therapeutic product effect incomplete | 32.55 | 23.94 | 54 | 8451 | 70885 | 42541945 |
| Hyperprolactinaemia | 31.94 | 23.94 | 13 | 8492 | 2110 | 42610720 |
| Drug screen false positive | 30.36 | 23.94 | 10 | 8495 | 892 | 42611938 |
| Victim of chemical submission | 30.34 | 23.94 | 7 | 8498 | 163 | 42612667 |
| Arthralgia | 30.20 | 23.94 | 3 | 8502 | 205235 | 42407595 |
| Wrong schedule | 30.12 | 23.94 | 8 | 8497 | 337 | 42612493 |
| Tachycardia | 29.03 | 23.94 | 63 | 8442 | 101024 | 42511806 |
| Restless legs syndrome | 28.82 | 23.94 | 20 | 8485 | 9594 | 42603236 |
| Product administration error | 28.66 | 23.94 | 26 | 8479 | 18317 | 42594513 |
| Substance use disorder | 28.41 | 23.94 | 16 | 8489 | 5329 | 42607501 |
| Rash | 28.29 | 23.94 | 10 | 8495 | 276944 | 42335886 |
| Mumps | 28.02 | 23.94 | 6 | 8499 | 98 | 42612732 |
| Poisoning deliberate | 27.87 | 23.94 | 20 | 8485 | 10114 | 42602716 |
| Contraindicated product administered | 26.81 | 23.94 | 29 | 8476 | 25243 | 42587587 |
| Diarrhoea | 26.39 | 23.94 | 32 | 8473 | 460817 | 42152013 |
| Overdose | 26.21 | 23.94 | 62 | 8443 | 105202 | 42507628 |
| Balance disorder | 25.61 | 23.94 | 39 | 8466 | 47606 | 42565224 |
| Psychotic disorder | 25.02 | 23.94 | 30 | 8475 | 29178 | 42583652 |
| Obsessive-compulsive disorder | 24.97 | 23.94 | 16 | 8489 | 6727 | 42606103 |
| Electrocardiogram QRS complex prolonged | 24.54 | 23.94 | 15 | 8490 | 5808 | 42607022 |
| Hyperhidrosis | 24.39 | 23.94 | 55 | 8450 | 90457 | 42522373 |
| Haematoma | 24.36 | 23.94 | 29 | 8476 | 27994 | 42584836 |
| Respiratory depression | 24.24 | 23.94 | 24 | 8481 | 18844 | 42593986 |
| Hallucination | 24.02 | 23.94 | 42 | 8463 | 57465 | 42555365 |
| 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 |
|---|---|---|---|---|---|---|
| Suicide attempt | 357.03 | 21.26 | 212 | 16550 | 103182 | 110469355 |
| Neuroleptic malignant syndrome | 278.96 | 21.26 | 125 | 16637 | 33934 | 110538603 |
| Somnolence | 278.09 | 21.26 | 280 | 16482 | 297169 | 110275368 |
| Intentional overdose | 266.98 | 21.26 | 194 | 16568 | 132307 | 110440230 |
| Drug abuse | 253.66 | 21.26 | 212 | 16550 | 177199 | 110395338 |
| Toxicity to various agents | 238.85 | 21.26 | 327 | 16435 | 480228 | 110092309 |
| Drug interaction | 228.69 | 21.26 | 327 | 16435 | 499856 | 110072681 |
| Altered state of consciousness | 206.16 | 21.26 | 121 | 16641 | 57505 | 110515032 |
| Extrapyramidal disorder | 205.11 | 21.26 | 96 | 16666 | 28771 | 110543766 |
| Electrocardiogram QT prolonged | 195.79 | 21.26 | 149 | 16613 | 108811 | 110463726 |
| Intentional self-injury | 190.01 | 21.26 | 99 | 16663 | 37330 | 110535207 |
| Sopor | 158.34 | 21.26 | 87 | 16675 | 36459 | 110536078 |
| Suicidal ideation | 154.65 | 21.26 | 122 | 16640 | 93815 | 110478722 |
| Dystonic tremor | 145.52 | 21.26 | 28 | 16734 | 349 | 110572188 |
| Coma | 124.83 | 21.26 | 119 | 16643 | 117750 | 110454787 |
| Urinary retention | 111.44 | 21.26 | 89 | 16673 | 69594 | 110502943 |
| Dystonia | 110.58 | 21.26 | 61 | 16701 | 25744 | 110546793 |
| Aggression | 106.34 | 21.26 | 81 | 16681 | 59129 | 110513408 |
| Depressed level of consciousness | 105.15 | 21.26 | 106 | 16656 | 112172 | 110460365 |
| Blood creatine phosphokinase increased | 93.38 | 21.26 | 82 | 16680 | 72995 | 110499542 |
| Poisoning deliberate | 93.35 | 21.26 | 55 | 16707 | 26276 | 110546261 |
| Restlessness | 81.82 | 21.26 | 68 | 16694 | 56191 | 110516346 |
| Psychomotor hyperactivity | 78.90 | 21.26 | 45 | 16717 | 20232 | 110552305 |
| Overdose | 78.63 | 21.26 | 133 | 16629 | 233661 | 110338876 |
| Pneumonia aspiration | 74.76 | 21.26 | 76 | 16686 | 81157 | 110491380 |
| Salivary hypersecretion | 74.13 | 21.26 | 41 | 16721 | 17380 | 110555157 |
| Excessive eye blinking | 69.71 | 21.26 | 21 | 16741 | 1849 | 110570688 |
| Akathisia | 69.34 | 21.26 | 39 | 16723 | 17074 | 110555463 |
| Miosis | 67.81 | 21.26 | 42 | 16720 | 21941 | 110550596 |
| Wrong patient received product | 66.01 | 21.26 | 28 | 16734 | 6646 | 110565891 |
| Sedation | 63.76 | 21.26 | 65 | 16697 | 69618 | 110502919 |
| Sudden death | 61.38 | 21.26 | 41 | 16721 | 24354 | 110548183 |
| Asphyxia | 59.24 | 21.26 | 33 | 16729 | 14182 | 110558355 |
| Poisoning | 57.10 | 21.26 | 42 | 16720 | 29063 | 110543474 |
| Agitation | 54.45 | 21.26 | 76 | 16686 | 112975 | 110459562 |
| Psychiatric symptom | 54.39 | 21.26 | 27 | 16735 | 9186 | 110563351 |
| Tachycardia | 53.72 | 21.26 | 111 | 16651 | 226534 | 110346003 |
| Drug hypersensitivity | 53.57 | 21.26 | 4 | 16758 | 454086 | 110118451 |
| Schizophrenia | 53.28 | 21.26 | 36 | 16726 | 21790 | 110550747 |
| Substance abuse | 49.40 | 21.26 | 28 | 16734 | 12435 | 110560102 |
| Acute pulmonary oedema | 48.72 | 21.26 | 31 | 16731 | 16965 | 110555572 |
| Intestinal haemorrhage | 47.79 | 21.26 | 23 | 16739 | 7318 | 110565219 |
| Hyperprolactinaemia | 47.09 | 21.26 | 22 | 16740 | 6553 | 110565984 |
| Joint swelling | 46.75 | 21.26 | 6 | 16756 | 442839 | 110129698 |
| Rhabdomyolysis | 46.54 | 21.26 | 73 | 16689 | 120328 | 110452209 |
| Depressed mood | 45.52 | 21.26 | 51 | 16711 | 60758 | 110511779 |
| Adverse drug reaction | 45.03 | 21.26 | 67 | 16695 | 105492 | 110467045 |
| Pain | 42.94 | 21.26 | 49 | 16713 | 954906 | 109617631 |
| Hypothermia | 42.89 | 21.26 | 34 | 16728 | 26268 | 110546269 |
| Ileus paralytic | 42.87 | 21.26 | 25 | 16737 | 11712 | 110560825 |
| Rash | 42.79 | 21.26 | 37 | 16725 | 820927 | 109751610 |
| Electrocardiogram QRS complex prolonged | 40.47 | 21.26 | 25 | 16737 | 12996 | 110559541 |
| Arthralgia | 38.40 | 21.26 | 37 | 16725 | 779595 | 109792942 |
| Feelings of worthlessness | 37.26 | 21.26 | 10 | 16752 | 580 | 110571957 |
| Urticaria | 37.05 | 21.26 | 3 | 16759 | 318854 | 110253683 |
| Muscle rigidity | 36.92 | 21.26 | 30 | 16732 | 24001 | 110548536 |
| Behaviour disorder | 36.43 | 21.26 | 21 | 16741 | 9626 | 110562911 |
| Substance use disorder | 36.16 | 21.26 | 19 | 16743 | 7271 | 110565266 |
| Colitis ischaemic | 35.69 | 21.26 | 26 | 16736 | 17724 | 110554813 |
| Seizure | 35.52 | 21.26 | 93 | 16669 | 221092 | 110351445 |
| Intestinal obstruction | 35.39 | 21.26 | 42 | 16720 | 53185 | 110519352 |
| Blood glucose fluctuation | 35.19 | 21.26 | 19 | 16743 | 7679 | 110564858 |
| Parkinsonism | 34.72 | 21.26 | 28 | 16734 | 22159 | 110550378 |
| Biliary tract infection | 34.19 | 21.26 | 12 | 16750 | 1712 | 110570825 |
| Cholangitis infective | 33.78 | 21.26 | 10 | 16752 | 829 | 110571708 |
| Cognitive disorder | 33.73 | 21.26 | 53 | 16709 | 87458 | 110485079 |
| Accidental poisoning | 33.41 | 21.26 | 13 | 16749 | 2474 | 110570063 |
| Mental disorder | 33.34 | 21.26 | 35 | 16727 | 38756 | 110533781 |
| Abnormal behaviour | 33.16 | 21.26 | 35 | 16727 | 39004 | 110533533 |
| Hallucination | 33.12 | 21.26 | 57 | 16705 | 101375 | 110471162 |
| Pruritus | 33.05 | 21.26 | 24 | 16738 | 581536 | 109991001 |
| Swelling | 32.07 | 21.26 | 7 | 16755 | 351034 | 110221503 |
| Cholinergic rebound syndrome | 32.04 | 21.26 | 6 | 16756 | 64 | 110572473 |
| Mania | 32.03 | 21.26 | 26 | 16736 | 20770 | 110551767 |
| Muscle contracture | 31.88 | 21.26 | 13 | 16749 | 2795 | 110569742 |
| Hypersensitivity | 31.43 | 21.26 | 11 | 16751 | 403987 | 110168550 |
| Blood glucose abnormal | 30.80 | 21.26 | 21 | 16741 | 12895 | 110559642 |
| Withdrawal syndrome | 30.03 | 21.26 | 30 | 16732 | 31350 | 110541187 |
| Megacolon | 29.58 | 21.26 | 14 | 16748 | 4291 | 110568246 |
| Psychomotor retardation | 29.53 | 21.26 | 17 | 16745 | 7775 | 110564762 |
| Hepatic cytolysis | 29.51 | 21.26 | 39 | 16723 | 55014 | 110517523 |
| Abulia | 29.37 | 21.26 | 10 | 16752 | 1303 | 110571234 |
| Sinusitis | 29.03 | 21.26 | 5 | 16757 | 296683 | 110275854 |
| Cough | 29.00 | 21.26 | 17 | 16745 | 461624 | 110110913 |
| Drug screen false positive | 28.96 | 21.26 | 10 | 16752 | 1359 | 110571178 |
| Cardio-respiratory arrest | 28.92 | 21.26 | 58 | 16704 | 115778 | 110456759 |
| Dyskinesia | 28.44 | 21.26 | 37 | 16725 | 51409 | 110521128 |
| Alopecia | 28.25 | 21.26 | 10 | 16752 | 364743 | 110207794 |
| Wrong patient | 28.08 | 21.26 | 10 | 16752 | 1489 | 110571048 |
| Wheezing | 28.05 | 21.26 | 3 | 16759 | 255227 | 110317310 |
| Maternal exposure during pregnancy | 28.00 | 21.26 | 3 | 16759 | 254880 | 110317657 |
| Obsessive-compulsive disorder | 27.98 | 21.26 | 16 | 16746 | 7225 | 110565312 |
| Choking | 27.83 | 21.26 | 21 | 16741 | 15089 | 110557448 |
| Stomatitis | 27.70 | 21.26 | 4 | 16758 | 270238 | 110302299 |
| Tremor | 27.47 | 21.26 | 80 | 16682 | 202152 | 110370385 |
| Tension | 27.39 | 21.26 | 14 | 16748 | 5064 | 110567473 |
| Asthma | 27.36 | 21.26 | 3 | 16759 | 250288 | 110322249 |
| Bacillus infection | 27.35 | 21.26 | 10 | 16752 | 1604 | 110570933 |
| Respiratory acidosis | 27.22 | 21.26 | 20 | 16742 | 13806 | 110558731 |
| Galactorrhoea | 26.99 | 21.26 | 13 | 16749 | 4142 | 110568395 |
| Abdominal discomfort | 26.95 | 21.26 | 13 | 16749 | 393845 | 110178692 |
| Headache | 26.63 | 21.26 | 59 | 16703 | 882318 | 109690219 |
| Vascular pain | 26.50 | 21.26 | 9 | 16753 | 1164 | 110571373 |
| Wrong schedule | 26.47 | 21.26 | 8 | 16754 | 712 | 110571825 |
| Flat affect | 26.41 | 21.26 | 11 | 16751 | 2494 | 110570043 |
| Hyponatraemia | 25.73 | 21.26 | 82 | 16680 | 217571 | 110354966 |
| Drug intolerance | 25.49 | 21.26 | 15 | 16747 | 406497 | 110166040 |
| Pain in extremity | 25.28 | 21.26 | 22 | 16740 | 487096 | 110085441 |
| Treatment noncompliance | 25.12 | 21.26 | 42 | 16720 | 72948 | 110499589 |
| Self-destructive behaviour | 25.11 | 21.26 | 8 | 16754 | 847 | 110571690 |
| Hallucination, auditory | 24.82 | 21.26 | 25 | 16737 | 26372 | 110546165 |
| Disturbance in attention | 24.52 | 21.26 | 38 | 16724 | 61957 | 110510580 |
| Blister | 24.17 | 21.26 | 3 | 16759 | 227373 | 110345164 |
| Pulmonary embolism | 23.72 | 21.26 | 79 | 16683 | 214395 | 110358142 |
| Constipation | 23.56 | 21.26 | 112 | 16650 | 357674 | 110214863 |
| Neuroleptic-induced deficit syndrome | 23.54 | 21.26 | 4 | 16758 | 23 | 110572514 |
| Mobility decreased | 23.23 | 21.26 | 4 | 16758 | 237418 | 110335119 |
| Dyspnoea | 23.18 | 21.26 | 88 | 16674 | 1106784 | 109465753 |
| Obsessive-compulsive symptom | 22.79 | 21.26 | 6 | 16756 | 323 | 110572214 |
| Perforation | 22.69 | 21.26 | 9 | 16753 | 1801 | 110570736 |
| Deep vein thrombosis | 22.63 | 21.26 | 59 | 16703 | 139828 | 110432709 |
| Therapeutic product effect incomplete | 22.62 | 21.26 | 80 | 16682 | 223725 | 110348812 |
| Hyperhidrosis | 22.53 | 21.26 | 71 | 16691 | 187227 | 110385310 |
| Discomfort | 22.42 | 21.26 | 3 | 16759 | 214704 | 110357833 |
| Bradykinesia | 22.14 | 21.26 | 16 | 16746 | 10772 | 110561765 |
| Blood phosphorus decreased | 22.01 | 21.26 | 14 | 16748 | 7651 | 110564886 |
| Illusion | 21.79 | 21.26 | 9 | 16753 | 1998 | 110570539 |
| Tonic clonic movements | 21.52 | 21.26 | 10 | 16752 | 2942 | 110569595 |
| Product dose omission issue | 21.43 | 21.26 | 11 | 16751 | 321771 | 110250766 |
| Delusion | 21.43 | 21.26 | 22 | 16740 | 23733 | 110548804 |
| 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 |
|---|---|---|---|---|---|---|
| Cerebral calcification | 30.59 | 26.52 | 5 | 12 | 27 | 113909 |
| Source | Code | Description |
|---|---|---|
| ATC | N05AA02 | NERVOUS SYSTEM PSYCHOLEPTICS ANTIPSYCHOTICS Phenothiazines with aliphatic side-chain |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:37930 | phenothiazine antipsychotic drug |
| CHEBI has role | CHEBI:48279 | serotonergic antagonist |
| CHEBI has role | CHEBI:48561 | dopaminergic antagonist |
| CHEBI has role | CHEBI:48873 | cholinergic antagonist |
| CHEBI has role | CHEBI:76779 | EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| CHEBI has role | CHEBI:149553 | anticoronaviral agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Alcoholism | contraindication | 7200002 | |
| Organophosphate poisoning | contraindication | 8260003 | |
| Weight gain finding | contraindication | 8943002 | |
| Neuroleptic malignant syndrome | contraindication | 15244003 | DOID:14464 |
| Senile dementia | contraindication | 15662003 | |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Orthostatic hypotension | contraindication | 28651003 | |
| Torsades de pointes | contraindication | 31722008 | |
| Parkinsonism | contraindication | 32798002 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Bradycardia | contraindication | 48867003 | |
| Extrapyramidal disease | contraindication | 76349003 | |
| Hyperglycemia | contraindication | 80394007 | DOID:4195 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| Stupor | contraindication | 89458003 | |
| Tardive dyskinesia | contraindication | 102449007 | |
| Prolonged QT interval | contraindication | 111975006 | |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Angina pectoris | contraindication | 194828000 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Metabolic syndrome X | contraindication | 237602007 | DOID:14221 |
| Hyperprolactinemia | contraindication | 237662005 | DOID:12700 |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Coma | contraindication | 371632003 | |
| At risk for aspiration | contraindication | 371736008 | |
| Visual impairment | contraindication | 397540003 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Myocardial ischemia | contraindication | 414795007 | DOID:3393 |
| Obesity | contraindication | 414916001 | DOID:9970 |
| Congenital long QT syndrome | contraindication | 442917000 | |
| Carcinoma of female breast | contraindication | 447782002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.92 | Basic |
| pKa2 | 4.55 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | GPCR | Ki | 9.24 | PDSP | |||||
| Pleiotropic ABC efflux transporter of multiple drugs | Transporter | IC50 | 5.02 | CHEMBL |
| ID | Source |
|---|---|
| 4018915 | VUID |
| N0000147208 | NUI |
| D00403 | KEGG_DRUG |
| 4018915 | VANDF |
| CHEBI:6838 | CHEBI |
| CHEMBL1764 | ChEMBL_ID |
| CHEMBL1725730 | ChEMBL_ID |
| 7603 | IUPHAR_LIGAND_ID |
| 705 | INN_ID |
| 7104-38-3 | SECONDARY_CAS_RN |
| DB01403 | DRUGBANK_ID |
| 9G0LAW7ATQ | UNII |
| 160372 | RXNORM |
| 1834 | MMSL |
| 5078 | MMSL |
| d00814 | MMSL |
| 001581 | NDDF |
| 004134 | NDDF |
| 005070 | NDDF |
| 387509007 | SNOMEDCT_US |
| 395790003 | SNOMEDCT_US |
| 57911003 | SNOMEDCT_US |
| 89029005 | SNOMEDCT_US |
| C0025678 | UMLSCUI |
| D008728 | MESH_DESCRIPTOR_UI |
| CHEMBL2104973 | ChEMBL_ID |
| 72287 | PUBCHEM_CID |
| C017901 | MESH_SUPPLEMENTAL_RECORD_UI |
None