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| Stem definition | Drug id | CAS RN |
|---|---|---|
| analogues of penicillanic acid antibiotics modified in the five-membered ring | 1046 | 153832-46-3 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 38 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 28.72 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 0 % | |
| Vd (Volume of distribution) | 0.12 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.45 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.10 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3.80 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.941 | Moderate | 0.79 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.668 | Moderate | 0.79 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.179 | 10^-6 cm/s | Moderate | 0.79 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.600 | uL/min/10^6 cells | Moderate | 0.79 |
| dppb | Dog plasma protein binding (% unbound) | 52.650 | % | Moderate | 0.79 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 54.650 | % | Moderate | 0.79 |
| herg | hERG pIC50 | 4.584 | pIC50 | Moderate | 0.79 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.259 | uL/min/10^6 cells | Moderate | 0.79 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.741 | uL/min/mg protein | Moderate | 0.79 |
| hppb | Human plasma protein binding (% unbound) | 31.020 | % | Moderate | 0.79 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 36 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK7,PRKDC,STK33,TEK | 12 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.259 | Moderate | 0.79 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 6.412 | Moderate | 0.79 | |
| mppb | Mouse plasma protein binding (% unbound) | 63.740 | Moderate | 0.79 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.231 | Moderate | 0.79 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 43.250 | % | Moderate | 0.79 |
| rh-clint | Rat hepatocyte intrinsic clearance | 3.715 | uL/min/10^6 cells | Moderate | 0.79 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.930 | % | Moderate | 0.79 |
| rppb | Rat plasma protein binding (% unbound) | 27.920 | % | Moderate | 0.79 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 860.994 | uM | Moderate | 0.79 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 18, 2002 | EMA | Merck Sharp & Dohme Ltd | |
| Nov. 21, 2001 | FDA | MERCK SHARP DOHME |
| 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 |
|---|---|---|---|---|---|---|
| Macular degeneration | 1430.53 | 26.59 | 406 | 10427 | 37564 | 90580050 |
| Chronic sinusitis | 476.62 | 26.59 | 157 | 10676 | 23645 | 90593969 |
| Paraesthesia oral | 444.01 | 26.59 | 160 | 10673 | 31499 | 90586115 |
| Vaginal flatulence | 424.77 | 26.59 | 124 | 10709 | 12514 | 90605100 |
| Proctitis | 401.71 | 26.59 | 124 | 10709 | 15135 | 90602479 |
| Female genital tract fistula | 390.60 | 26.59 | 126 | 10707 | 17742 | 90599872 |
| Radiculopathy | 382.22 | 26.59 | 125 | 10708 | 18380 | 90599234 |
| Vaginal discharge | 372.02 | 26.59 | 124 | 10709 | 19340 | 90598274 |
| Procedural pain | 355.90 | 26.59 | 138 | 10695 | 33222 | 90584392 |
| Oral candidiasis | 309.75 | 26.59 | 127 | 10706 | 35328 | 90582286 |
| Drug ineffective | 255.15 | 26.59 | 527 | 10306 | 1383771 | 89233843 |
| Frequent bowel movements | 246.28 | 26.59 | 125 | 10708 | 56810 | 90560804 |
| Colitis ulcerative | 239.56 | 26.59 | 125 | 10708 | 60141 | 90557473 |
| Colitis | 233.02 | 26.59 | 129 | 10704 | 69813 | 90547801 |
| Haematochezia | 223.19 | 26.59 | 126 | 10707 | 70787 | 90546827 |
| Rectal haemorrhage | 205.15 | 26.59 | 126 | 10707 | 82618 | 90534996 |
| Therapeutic product effect incomplete | 175.12 | 26.59 | 161 | 10672 | 193735 | 90423879 |
| Seizure | 162.18 | 26.59 | 139 | 10694 | 152490 | 90465124 |
| Dyspepsia | 136.65 | 26.59 | 142 | 10691 | 198018 | 90419596 |
| Hallucination | 118.17 | 26.59 | 82 | 10751 | 65877 | 90551737 |
| Product use in unapproved indication | 116.14 | 26.59 | 170 | 10663 | 336066 | 90281548 |
| Erythema | 111.44 | 26.59 | 137 | 10696 | 229109 | 90388505 |
| Encephalopathy | 108.10 | 26.59 | 68 | 10765 | 46376 | 90571238 |
| Pyrexia | 103.64 | 26.59 | 237 | 10596 | 660248 | 89957366 |
| Weight decreased | 96.57 | 26.59 | 167 | 10666 | 379743 | 90237871 |
| Anaemia | 89.53 | 26.59 | 155 | 10678 | 352647 | 90264967 |
| Constipation | 84.29 | 26.59 | 133 | 10700 | 280262 | 90337352 |
| Abdominal pain | 69.75 | 26.59 | 149 | 10684 | 395572 | 90222042 |
| Epilepsy | 69.68 | 26.59 | 66 | 10767 | 82140 | 90535474 |
| Disorganised speech | 65.50 | 26.59 | 19 | 10814 | 1866 | 90615748 |
| Infusion related reaction | 62.32 | 26.59 | 147 | 10686 | 416633 | 90200981 |
| Clostridium difficile colitis | 61.86 | 26.59 | 39 | 10794 | 26667 | 90590947 |
| Renal graft infection | 54.79 | 26.59 | 12 | 10821 | 374 | 90617240 |
| Clostridium difficile infection | 53.30 | 26.59 | 40 | 10793 | 36205 | 90581409 |
| Malaise | 52.14 | 26.59 | 171 | 10662 | 585815 | 90031799 |
| Confusional state | 51.08 | 26.59 | 130 | 10703 | 386075 | 90231539 |
| Status epilepticus | 49.92 | 26.59 | 30 | 10803 | 18844 | 90598770 |
| Clostridium test positive | 49.33 | 26.59 | 20 | 10813 | 5381 | 90612233 |
| Fatigue | 48.87 | 26.59 | 40 | 10793 | 1153983 | 89463631 |
| Mitochondrial toxicity | 48.33 | 26.59 | 12 | 10821 | 651 | 90616963 |
| Mental status changes | 47.97 | 26.59 | 41 | 10792 | 44638 | 90572976 |
| Arthralgia | 45.75 | 26.59 | 18 | 10815 | 778504 | 89839110 |
| Avian influenza | 45.27 | 26.59 | 8 | 10825 | 78 | 90617536 |
| Off label use | 44.51 | 26.59 | 253 | 10580 | 1101999 | 89515615 |
| Skin odour abnormal | 44.42 | 26.59 | 14 | 10819 | 1821 | 90615793 |
| Generalised tonic-clonic seizure | 43.66 | 26.59 | 35 | 10798 | 34868 | 90582746 |
| Raoultella ornithinolytica infection | 43.60 | 26.59 | 8 | 10825 | 98 | 90617516 |
| Hallucination, visual | 39.66 | 26.59 | 28 | 10805 | 23064 | 90594550 |
| Neurotoxicity | 39.14 | 26.59 | 27 | 10806 | 21440 | 90596174 |
| Wound secretion | 37.24 | 26.59 | 16 | 10817 | 4974 | 90612640 |
| Band neutrophil count decreased | 35.90 | 26.59 | 7 | 10826 | 121 | 90617493 |
| Drug reaction with eosinophilia and systemic symptoms | 35.58 | 26.59 | 34 | 10799 | 42724 | 90574890 |
| Abdominal discomfort | 35.49 | 26.59 | 7 | 10826 | 477321 | 90140293 |
| Nasopharyngitis | 34.76 | 26.59 | 4 | 10829 | 407100 | 90210514 |
| Acute generalised exanthematous pustulosis | 34.23 | 26.59 | 21 | 10812 | 13682 | 90603932 |
| Delirium | 33.36 | 26.59 | 51 | 10782 | 104308 | 90513306 |
| Pathogen resistance | 32.66 | 26.59 | 17 | 10816 | 8098 | 90609516 |
| Alopecia | 31.51 | 26.59 | 10 | 10823 | 495061 | 90122553 |
| Bone marrow eosinophilic leukocyte count increased | 30.88 | 26.59 | 5 | 10828 | 27 | 90617587 |
| Allergic hepatitis | 29.53 | 26.59 | 5 | 10828 | 37 | 90617577 |
| Hypersensitivity | 29.26 | 26.59 | 9 | 10824 | 454668 | 90162946 |
| Pain in extremity | 28.85 | 26.59 | 9 | 10824 | 450520 | 90167094 |
| Toxic encephalopathy | 28.79 | 26.59 | 16 | 10817 | 8683 | 90608931 |
| Synovitis | 28.75 | 26.59 | 3 | 10830 | 329749 | 90287865 |
| Tooth discolouration | 28.41 | 26.59 | 9 | 10824 | 1189 | 90616425 |
| Weight increased | 27.38 | 26.59 | 8 | 10825 | 417919 | 90199695 |
| Seizure like phenomena | 27.10 | 26.59 | 9 | 10824 | 1381 | 90616233 |
| 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 |
|---|---|---|---|---|---|---|
| Confusional state | 285.87 | 24.04 | 229 | 6797 | 167368 | 42446941 |
| Product use in unapproved indication | 236.42 | 24.04 | 214 | 6812 | 184242 | 42430067 |
| Seizure | 227.29 | 24.04 | 175 | 6851 | 120386 | 42493923 |
| Hallucination | 179.78 | 24.04 | 114 | 6912 | 57393 | 42556916 |
| Epilepsy | 170.16 | 24.04 | 84 | 6942 | 26087 | 42588222 |
| Pathogen resistance | 160.15 | 24.04 | 63 | 6963 | 11387 | 42602922 |
| Encephalopathy | 154.80 | 24.04 | 92 | 6934 | 41241 | 42573068 |
| Toxic encephalopathy | 117.78 | 24.04 | 44 | 6982 | 6909 | 42607400 |
| Delirium | 115.94 | 24.04 | 84 | 6942 | 52435 | 42561874 |
| Hallucination, visual | 111.94 | 24.04 | 59 | 6967 | 20961 | 42593348 |
| Myoclonus | 108.55 | 24.04 | 54 | 6972 | 17011 | 42597298 |
| Clostridium difficile colitis | 108.51 | 24.04 | 58 | 6968 | 21194 | 42593115 |
| Disorganised speech | 78.09 | 24.04 | 22 | 7004 | 1406 | 42612903 |
| Drug resistance | 73.75 | 24.04 | 54 | 6972 | 34194 | 42580115 |
| Generalised tonic-clonic seizure | 71.75 | 24.04 | 48 | 6978 | 26331 | 42587978 |
| Status epilepticus | 67.05 | 24.04 | 38 | 6988 | 15540 | 42598769 |
| Neurotoxicity | 66.65 | 24.04 | 44 | 6982 | 23607 | 42590702 |
| Clostridium test positive | 62.19 | 24.04 | 26 | 7000 | 5479 | 42608830 |
| Disorientation | 49.78 | 24.04 | 44 | 6982 | 36345 | 42577964 |
| Malacoplakia | 49.46 | 24.04 | 14 | 7012 | 910 | 42613399 |
| Agitation | 47.95 | 24.04 | 56 | 6970 | 64258 | 42550051 |
| Drug reaction with eosinophilia and systemic symptoms | 46.19 | 24.04 | 45 | 6981 | 42030 | 42572279 |
| Biliary sepsis | 40.56 | 24.04 | 12 | 7014 | 912 | 42613397 |
| Dysarthria | 38.95 | 24.04 | 40 | 6986 | 39767 | 42574542 |
| Serotonin syndrome | 38.88 | 24.04 | 33 | 6993 | 25812 | 42588497 |
| Drug interaction | 38.86 | 24.04 | 114 | 6912 | 266885 | 42347424 |
| Urinary tract inflammation | 34.26 | 24.04 | 8 | 7018 | 240 | 42614069 |
| Neuromyopathy | 34.02 | 24.04 | 11 | 7015 | 1123 | 42613186 |
| Mental disorder | 33.40 | 24.04 | 26 | 7000 | 18003 | 42596306 |
| Conductive deafness | 33.03 | 24.04 | 9 | 7017 | 508 | 42613801 |
| Myasthenia gravis crisis | 32.87 | 24.04 | 10 | 7016 | 836 | 42613473 |
| Pseudomonal sepsis | 31.68 | 24.04 | 15 | 7011 | 4234 | 42610075 |
| Neutropenia | 29.78 | 24.04 | 86 | 6940 | 199345 | 42414964 |
| Eosinophilic pneumonia acute | 28.96 | 24.04 | 9 | 7017 | 808 | 42613501 |
| Rash morbilliform | 28.95 | 24.04 | 14 | 7012 | 4139 | 42610170 |
| Eosinophilia | 28.51 | 24.04 | 31 | 6995 | 32868 | 42581441 |
| Appendicitis perforated | 27.37 | 24.04 | 11 | 7015 | 2095 | 42612214 |
| Mental status changes | 27.01 | 24.04 | 34 | 6992 | 42081 | 42572228 |
| Eosinophilic pneumonia | 26.83 | 24.04 | 14 | 7012 | 4860 | 42609449 |
| Arterial angioplasty | 26.57 | 24.04 | 5 | 7021 | 50 | 42614259 |
| Vitamin B1 deficiency | 25.42 | 24.04 | 7 | 7019 | 411 | 42613898 |
| Anticonvulsant drug level decreased | 25.38 | 24.04 | 9 | 7017 | 1216 | 42613093 |
| Foot amputation | 24.44 | 24.04 | 8 | 7018 | 849 | 42613460 |
| Incorrect product administration duration | 24.37 | 24.04 | 14 | 7012 | 5866 | 42608443 |
| 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 |
|---|---|---|---|---|---|---|
| Macular degeneration | 459.36 | 22.32 | 158 | 16466 | 21501 | 110551174 |
| Chronic sinusitis | 425.47 | 22.32 | 155 | 16469 | 24929 | 110547746 |
| Vaginal flatulence | 397.14 | 22.32 | 123 | 16501 | 12021 | 110560654 |
| Paraesthesia oral | 391.44 | 22.32 | 158 | 16466 | 33513 | 110539162 |
| Female genital tract fistula | 367.78 | 22.32 | 125 | 16499 | 16394 | 110556281 |
| Proctitis | 357.01 | 22.32 | 123 | 16501 | 16804 | 110555871 |
| Vaginal discharge | 350.22 | 22.32 | 123 | 16501 | 17785 | 110554890 |
| Radiculopathy | 344.76 | 22.32 | 124 | 16500 | 19212 | 110553463 |
| Seizure | 317.85 | 22.32 | 264 | 16360 | 220921 | 110351754 |
| Procedural pain | 309.99 | 22.32 | 136 | 16488 | 35429 | 110537246 |
| Product use in unapproved indication | 308.75 | 22.32 | 357 | 16267 | 447020 | 110125655 |
| Hallucination | 292.87 | 22.32 | 185 | 16439 | 101247 | 110471428 |
| Oral candidiasis | 262.14 | 22.32 | 130 | 16494 | 44630 | 110528045 |
| Confusional state | 261.48 | 22.32 | 336 | 16288 | 468344 | 110104331 |
| Encephalopathy | 252.01 | 22.32 | 155 | 16469 | 80900 | 110491775 |
| Epilepsy | 205.77 | 22.32 | 148 | 16476 | 100061 | 110472614 |
| Frequent bowel movements | 190.56 | 22.32 | 124 | 16500 | 71266 | 110501409 |
| Colitis ulcerative | 176.76 | 22.32 | 122 | 16502 | 77241 | 110495434 |
| Pathogen resistance | 171.69 | 22.32 | 73 | 16551 | 17599 | 110555076 |
| Clostridium difficile colitis | 168.12 | 22.32 | 96 | 16528 | 43682 | 110528993 |
| Colitis | 165.39 | 22.32 | 131 | 16493 | 102192 | 110470483 |
| Haematochezia | 157.58 | 22.32 | 134 | 16490 | 115390 | 110457285 |
| Hallucination, visual | 141.83 | 22.32 | 83 | 16541 | 39522 | 110533153 |
| Disorganised speech | 136.10 | 22.32 | 40 | 16584 | 3263 | 110569412 |
| Delirium | 135.82 | 22.32 | 132 | 16492 | 134893 | 110437782 |
| Rectal haemorrhage | 133.57 | 22.32 | 124 | 16500 | 119709 | 110452966 |
| Therapeutic product effect incomplete | 123.63 | 22.32 | 160 | 16464 | 223645 | 110349030 |
| Myoclonus | 117.74 | 22.32 | 69 | 16555 | 32929 | 110539746 |
| Dyspepsia | 117.34 | 22.32 | 144 | 16480 | 190821 | 110381854 |
| Toxic encephalopathy | 115.95 | 22.32 | 53 | 16571 | 15161 | 110557514 |
| Clostridium test positive | 112.48 | 22.32 | 47 | 16577 | 10846 | 110561829 |
| Status epilepticus | 109.97 | 22.32 | 65 | 16559 | 31506 | 110541169 |
| Generalised tonic-clonic seizure | 108.14 | 22.32 | 79 | 16545 | 54601 | 110518074 |
| Neurotoxicity | 104.53 | 22.32 | 70 | 16554 | 42137 | 110530538 |
| Pyrexia | 98.37 | 22.32 | 327 | 16297 | 897938 | 109674737 |
| Drug resistance | 88.51 | 22.32 | 71 | 16553 | 56303 | 110516372 |
| Clostridium difficile infection | 78.34 | 22.32 | 64 | 16560 | 52065 | 110520610 |
| Drug reaction with eosinophilia and systemic symptoms | 78.29 | 22.32 | 78 | 16546 | 82017 | 110490658 |
| Fatigue | 73.89 | 22.32 | 46 | 16578 | 1215912 | 109356763 |
| Erythema | 73.87 | 22.32 | 146 | 16478 | 291301 | 110281374 |
| Mental status changes | 70.15 | 22.32 | 71 | 16553 | 76051 | 110496624 |
| Drug ineffective | 60.34 | 22.32 | 412 | 16212 | 1520128 | 109052547 |
| Anaemia | 59.50 | 22.32 | 199 | 16425 | 546887 | 110025788 |
| Arthralgia | 58.67 | 22.32 | 22 | 16602 | 779610 | 109793065 |
| Infusion related reaction | 56.84 | 22.32 | 155 | 16469 | 381007 | 110191668 |
| Weight decreased | 55.15 | 22.32 | 175 | 16449 | 467882 | 110104793 |
| Joint swelling | 51.44 | 22.32 | 4 | 16620 | 442841 | 110129834 |
| Disorientation | 51.14 | 22.32 | 58 | 16566 | 70613 | 110502062 |
| Malacoplakia | 50.87 | 22.32 | 15 | 16609 | 1237 | 110571438 |
| Constipation | 46.03 | 22.32 | 138 | 16486 | 357648 | 110215027 |
| Renal graft infection | 43.68 | 22.32 | 12 | 16612 | 767 | 110571908 |
| Off label use | 42.42 | 22.32 | 376 | 16248 | 1499809 | 109072866 |
| Eosinophilic pneumonia | 42.29 | 22.32 | 21 | 16603 | 7206 | 110565469 |
| Agitation | 41.98 | 22.32 | 67 | 16557 | 112984 | 110459691 |
| Avian influenza | 40.71 | 22.32 | 8 | 16616 | 113 | 110572562 |
| Pain in extremity | 39.63 | 22.32 | 12 | 16612 | 487106 | 110085569 |
| Granulomatous dermatitis | 38.48 | 22.32 | 10 | 16614 | 516 | 110572159 |
| Conductive deafness | 38.48 | 22.32 | 9 | 16615 | 299 | 110572376 |
| Nasopharyngitis | 37.41 | 22.32 | 7 | 16617 | 394354 | 110178321 |
| Raoultella ornithinolytica infection | 37.32 | 22.32 | 8 | 16616 | 177 | 110572498 |
| Abdominal pain | 37.09 | 22.32 | 164 | 16460 | 512825 | 110059850 |
| Weight increased | 36.65 | 22.32 | 9 | 16615 | 419635 | 110153040 |
| Metabolic encephalopathy | 36.49 | 22.32 | 22 | 16602 | 11038 | 110561637 |
| Dyspnoea | 34.35 | 22.32 | 72 | 16552 | 1106800 | 109465875 |
| Band neutrophil count decreased | 34.30 | 22.32 | 7 | 16617 | 121 | 110572554 |
| Skin odour abnormal | 33.68 | 22.32 | 13 | 16611 | 2441 | 110570234 |
| Alopecia | 33.49 | 22.32 | 7 | 16617 | 364746 | 110207929 |
| Endotracheal intubation | 33.45 | 22.32 | 17 | 16607 | 6127 | 110566548 |
| Acute generalised exanthematous pustulosis | 31.29 | 22.32 | 26 | 16598 | 21638 | 110551037 |
| Eosinophilia | 31.26 | 22.32 | 41 | 16583 | 57895 | 110514780 |
| Urinary tract inflammation | 31.23 | 22.32 | 8 | 16616 | 390 | 110572285 |
| Neutropenia | 31.13 | 22.32 | 125 | 16499 | 374495 | 110198180 |
| Eosinophilic pneumonia acute | 30.87 | 22.32 | 11 | 16613 | 1654 | 110571021 |
| Synovitis | 30.39 | 22.32 | 3 | 16621 | 274089 | 110298586 |
| Neuromyopathy | 30.16 | 22.32 | 11 | 16613 | 1768 | 110570907 |
| Vomiting | 30.15 | 22.32 | 57 | 16567 | 910618 | 109662057 |
| Biliary sepsis | 29.78 | 22.32 | 11 | 16613 | 1832 | 110570843 |
| Abdominal discomfort | 29.76 | 22.32 | 11 | 16613 | 393847 | 110178828 |
| Bone marrow eosinophilic leukocyte count increased | 29.58 | 22.32 | 5 | 16619 | 28 | 110572647 |
| Cross sensitivity reaction | 29.14 | 22.32 | 15 | 16609 | 5552 | 110567123 |
| Tooth discolouration | 29.09 | 22.32 | 10 | 16614 | 1353 | 110571322 |
| Escherichia test positive | 28.93 | 22.32 | 13 | 16611 | 3571 | 110569104 |
| Wound secretion | 28.82 | 22.32 | 16 | 16608 | 6885 | 110565790 |
| General physical health deterioration | 28.74 | 22.32 | 14 | 16610 | 425281 | 110147394 |
| Dysarthria | 28.71 | 22.32 | 48 | 16576 | 84073 | 110488602 |
| Vitamin B1 deficiency | 28.25 | 22.32 | 9 | 16615 | 961 | 110571714 |
| Stomatitis | 27.39 | 22.32 | 4 | 16620 | 270238 | 110302437 |
| Allergic hepatitis | 27.13 | 22.32 | 5 | 16619 | 49 | 110572626 |
| Arterial angioplasty | 27.03 | 22.32 | 5 | 16619 | 50 | 110572625 |
| Mitochondrial toxicity | 26.93 | 22.32 | 12 | 16612 | 3233 | 110569442 |
| Seizure like phenomena | 26.78 | 22.32 | 11 | 16613 | 2430 | 110570245 |
| Myasthenia gravis crisis | 26.30 | 22.32 | 10 | 16614 | 1804 | 110570871 |
| Peripheral swelling | 26.26 | 22.32 | 14 | 16610 | 404020 | 110168655 |
| Lower respiratory tract infection | 26.08 | 22.32 | 3 | 16621 | 243103 | 110329572 |
| Erythema multiforme | 25.75 | 22.32 | 23 | 16601 | 21074 | 110551601 |
| Anxiety | 25.46 | 22.32 | 10 | 16614 | 345068 | 110227607 |
| Product preparation issue | 25.40 | 22.32 | 11 | 16613 | 2768 | 110569907 |
| Back pain | 25.39 | 22.32 | 12 | 16612 | 370984 | 110201691 |
| Unresponsive to stimuli | 25.33 | 22.32 | 39 | 16585 | 63751 | 110508924 |
| Malaise | 25.21 | 22.32 | 180 | 16444 | 671639 | 109901036 |
| Hypoaesthesia | 25.08 | 22.32 | 8 | 16616 | 314215 | 110258460 |
| Anticonvulsant drug level decreased | 24.71 | 22.32 | 10 | 16614 | 2126 | 110570549 |
| Swelling | 24.57 | 22.32 | 11 | 16613 | 351030 | 110221645 |
| Urinary tract infection pseudomonal | 24.33 | 22.32 | 10 | 16614 | 2212 | 110570463 |
| Rash morbilliform | 24.15 | 22.32 | 15 | 16609 | 7936 | 110564739 |
| Mental disorder | 23.37 | 22.32 | 29 | 16595 | 38762 | 110533913 |
| Foot amputation | 23.00 | 22.32 | 8 | 16616 | 1120 | 110571555 |
| Hallucinations, mixed | 22.92 | 22.32 | 15 | 16609 | 8678 | 110563997 |
| Abdominal pain upper | 22.82 | 22.32 | 12 | 16612 | 349099 | 110223576 |
| Wound | 22.57 | 22.32 | 4 | 16620 | 234433 | 110338242 |
| Contusion | 22.42 | 22.32 | 4 | 16620 | 233357 | 110339318 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DH03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Carbapenems |
| FDA CS | M0024174 | Carbapenems |
| FDA EPC | N0000175496 | Penem Antibacterial |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute bacterial peritonitis | indication | 31860008 | |
| Bacterial pneumonia | indication | 53084003 | DOID:874 |
| Miscarriage with sepsis | indication | 67465009 | |
| Haemophilus influenzae pneumonia | indication | 70036007 | |
| Abdominal abscess | indication | 75100008 | |
| Female genital tract infection | indication | 125585007 | |
| Infectious disease of abdomen | indication | 128070006 | |
| Pneumococcal pneumonia | indication | 233607000 | |
| Escherichia coli urinary tract infection | indication | 301011002 | |
| Community acquired pneumonia | indication | 385093006 | |
| Peptostreptococcus infection | indication | 135341000119101 | |
| Urinary tract infection caused by Klebsiella | indication | 369001000119100 | |
| Complicated Skin and Skin Structure Streptococcus Pyogenes Infection | indication | ||
| Septic Abortion due to Porphyromonas | indication | ||
| Post-Op Gynecologic Infection due to Porphyromonas | indication | ||
| Klebsiella Pyelonephritis | indication | ||
| Post-Op Gynecological Peptostreptococcus Infection | indication | ||
| Complicated E. Coli Peritonitis | indication | ||
| Postpartum Endomyometritis due to E. Coli | indication | ||
| Colorectal Surgery Infection Prevention | indication | ||
| Diabetic Foot Infection | indication | ||
| Streptococcal Septic Abortion | indication | ||
| Postpartum Endomyometritis due to Peptostreptococcus | indication | ||
| Post-Op Gynecologic Infection due to Bacteroides | indication | ||
| Postpartum Endomyometritis due to Bacteroides | indication | ||
| E. Coli Septic Abortion | indication | ||
| E. Coli Pyelonephritis | indication | ||
| Complicated Skin and Skin Structure Staphylococcus Aureus Infection | indication | ||
| Complicated Skin and Skin Structure E. Coli Infection | indication | ||
| Peptostreptococcus Septic Abortion | indication | ||
| Complicated Bacterial Peritonitis | indication | ||
| Complicated Bacteroides Peritonitis | indication | ||
| Moraxella Catarrhalis Pneumonia | indication | ||
| Post-Op Gynecologic Infection due to Prevotella | indication | ||
| Bacteroides Septic Abortion | indication | ||
| Post-Op Gynecological Infection due to E. Coli | indication | ||
| Postpartum Endomyometritis due to Porphyromonas | indication | ||
| Postpartum Endomyometritis due to Streptococcus | indication | ||
| Postpartum Endomyometritis due to Prevotella | indication | ||
| Post-Op Gynecologic Infection, due to Streptococcus | indication | ||
| Prevotella Septic Abortion | indication | ||
| Complicated Skin and Skin Structure Infection | indication | ||
| Gas gangrene caused by clostridium perfringens | off-label use | 266093005 | |
| Clostridium Perfringens Empyema | off-label use | ||
| Acute nephropathy | contraindication | 58574008 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Seizure disorder | contraindication | 128613002 | |
| Lesion of brain | contraindication | 301766008 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.79 | acidic |
| pKa2 | 4.1 | acidic |
| pKa3 | 6.83 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D-alanyl-D-alanine carboxypeptidase DacB | Enzyme | INHIBITOR | DRUGBANK | CHEMBL | |||||
| Penicillin-binding protein 1A | Enzyme | INHIBITOR | DRUGBANK | CHEMBL | |||||
| Penicillin-binding protein 1B | Enzyme | INHIBITOR | DRUGBANK | CHEMBL | |||||
| Penicillin-binding protein 1 | Enzyme | WOMBAT-PK | |||||||
| Penicillin-binding protein 2 | Enzyme | WOMBAT-PK | |||||||
| D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6 | Enzyme | WOMBAT-PK | |||||||
| Penicillin-binding protein 4 | Enzyme | WOMBAT-PK | |||||||
| D-ala-D-ala-carboxypeptidase; D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase family protein; Penicillin-binding protein 5 | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| 4021283 | VUID |
| N0000148720 | NUI |
| D04049 | KEGG_DRUG |
| 153773-82-1 | SECONDARY_CAS_RN |
| 4021283 | VANDF |
| C1120106 | UMLSCUI |
| CHEBI:404903 | CHEBI |
| 6H7 | PDB_CHEM_ID |
| CHEMBL1359 | ChEMBL_ID |
| CHEMBL1232 | ChEMBL_ID |
| D000077727 | MESH_DESCRIPTOR_UI |
| DB00303 | DRUGBANK_ID |
| 10906 | IUPHAR_LIGAND_ID |
| 8049 | INN_ID |
| G32F6EID2H | UNII |
| 150610 | PUBCHEM_CID |
| 325642 | RXNORM |
| 16218 | MMSL |
| 173352 | MMSL |
| 274067 | MMSL |
| 42474 | MMSL |
| d04783 | MMSL |
| 009554 | NDDF |
| 009555 | NDDF |
| 385573008 | SNOMEDCT_US |
| 385574002 | SNOMEDCT_US |
| 396346003 | SNOMEDCT_US |
| G32F6EID2H | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| INVANZ | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-3843 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | NDA | 28 sections |
| INVANZ | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-3843 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | NDA | 28 sections |
| INVANZ | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-3845 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | NDA | 28 sections |
| INVANZ | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0006-3845 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | NDA | 28 sections |
| ertapenem sodium | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9398 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 28 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9429 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 28 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-3510 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 28 sections |
| ERTAPENEM SODIUM | HUMAN PRESCRIPTION DRUG LABEL | 1 | 16714-889 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 25 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 25021-199 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 32 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 25021-199 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 32 sections |
| ERTAPENEM | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42023-221 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | NDA | 29 sections |
| ERTAPENEM | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42023-221 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | NDA | 29 sections |
| ERTAPENEM SODIUM | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43598-901 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 25 sections |
| ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 44567-820 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 28 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 44647-051 | INJECTION | 1 g | INTRAVENOUS | ANDA | 29 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51810-504 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 28 sections |
| Ertapenem | Human Prescription Drug Label | 1 | 55150-282 | INJECTION | 1 g | INTRAVENOUS | ANDA | 25 sections |
| Ertapenem | Human Prescription Drug Label | 1 | 55150-282 | INJECTION | 1 g | INTRAVENOUS | ANDA | 25 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 60505-6196 | INJECTION | 1 g | INTRAVENOUS | ANDA | 29 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 63323-823 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 29 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68001-408 | INJECTION | 1 g | INTRAVENOUS | ANDA | 29 sections |
| Ertapenem | Human Prescription Drug Label | 1 | 68083-351 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 25 sections |
| Ertapenem | HUMAN PRESCRIPTION DRUG LABEL | 1 | 72266-159 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 25 sections |