Stem definition | Drug id | CAS RN |
---|---|---|
1891 | 13669-70-0 |
None
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 34 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 3 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.04 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 36 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 5.60 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 12 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 5 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1978 | YEAR INTRODUCED |
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 |
---|---|---|---|---|---|---|
Hepatocellular injury | 327.78 | 25.85 | 114 | 4654 | 25833 | 50574523 |
Cholestasis | 299.35 | 25.85 | 106 | 4662 | 25295 | 50575061 |
Acute kidney injury | 107.18 | 25.85 | 119 | 4649 | 227939 | 50372417 |
Drug reaction with eosinophilia and systemic symptoms | 99.26 | 25.85 | 50 | 4718 | 28374 | 50571982 |
Foetal megacystis | 69.90 | 25.85 | 10 | 4758 | 26 | 50600330 |
Drug dependence | 69.66 | 25.85 | 35 | 4733 | 19724 | 50580632 |
Coma | 69.48 | 25.85 | 51 | 4717 | 56828 | 50543528 |
Tonic clonic movements | 62.90 | 25.85 | 16 | 4752 | 1221 | 50599135 |
Pancreatitis acute | 60.77 | 25.85 | 34 | 4734 | 23778 | 50576578 |
Acute generalised exanthematous pustulosis | 60.67 | 25.85 | 25 | 4743 | 8913 | 50591443 |
Hepatic cytolysis | 59.57 | 25.85 | 24 | 4744 | 8079 | 50592277 |
Peripheral nerve injury | 57.15 | 25.85 | 12 | 4756 | 390 | 50599966 |
Anticholinergic syndrome | 56.99 | 25.85 | 16 | 4752 | 1779 | 50598577 |
Thrombocytopenia | 56.98 | 25.85 | 65 | 4703 | 127608 | 50472748 |
Fatigue | 54.80 | 25.85 | 3 | 4765 | 707598 | 49892758 |
Shock haemorrhagic | 48.82 | 25.85 | 21 | 4747 | 8323 | 50592033 |
Miosis | 47.45 | 25.85 | 19 | 4749 | 6291 | 50594065 |
Mixed liver injury | 46.69 | 25.85 | 16 | 4752 | 3435 | 50596921 |
Spinal epidural haemorrhage | 45.21 | 25.85 | 8 | 4760 | 102 | 50600254 |
Hyperkalaemia | 41.18 | 25.85 | 35 | 4733 | 48054 | 50552302 |
Encephalopathy | 40.62 | 25.85 | 30 | 4738 | 33681 | 50566675 |
Eosinophilia | 37.95 | 25.85 | 23 | 4745 | 18629 | 50581727 |
Epidural haemorrhage | 37.67 | 25.85 | 7 | 4761 | 119 | 50600237 |
Urinary bladder rupture | 36.99 | 25.85 | 7 | 4761 | 132 | 50600224 |
Hyperlactacidaemia | 35.74 | 25.85 | 12 | 4756 | 2421 | 50597935 |
Granulomatous liver disease | 34.79 | 25.85 | 9 | 4759 | 734 | 50599622 |
Metabolic acidosis | 34.77 | 25.85 | 29 | 4739 | 38796 | 50561560 |
Cutaneous T-cell lymphoma | 34.43 | 25.85 | 10 | 4758 | 1254 | 50599102 |
Poisoning deliberate | 33.83 | 25.85 | 16 | 4752 | 7896 | 50592460 |
Pancreatic pseudoaneurysm | 33.80 | 25.85 | 6 | 4762 | 78 | 50600278 |
Cell death | 32.83 | 25.85 | 11 | 4757 | 2204 | 50598152 |
Foetal heart rate abnormal | 32.73 | 25.85 | 8 | 4760 | 518 | 50599838 |
Stevens-Johnson syndrome | 32.31 | 25.85 | 22 | 4746 | 21730 | 50578626 |
Prescription drug used without a prescription | 31.51 | 25.85 | 10 | 4758 | 1690 | 50598666 |
Blood phosphorus decreased | 30.55 | 25.85 | 12 | 4756 | 3777 | 50596579 |
Somnolence | 30.08 | 25.85 | 53 | 4715 | 154932 | 50445424 |
Myoclonus | 29.84 | 25.85 | 18 | 4750 | 14452 | 50585904 |
Porphyria | 29.58 | 25.85 | 6 | 4762 | 164 | 50600192 |
Epidural analgesia | 29.55 | 25.85 | 5 | 4763 | 48 | 50600308 |
Drug ineffective | 29.19 | 25.85 | 21 | 4747 | 819312 | 49781044 |
Livedo reticularis | 29.11 | 25.85 | 10 | 4758 | 2162 | 50598194 |
Autonomic nervous system imbalance | 28.19 | 25.85 | 10 | 4758 | 2375 | 50597981 |
Porphyria acute | 28.10 | 25.85 | 7 | 4761 | 490 | 50599866 |
Agranulocytosis | 27.92 | 25.85 | 20 | 4748 | 21401 | 50578955 |
Hepatitis | 27.14 | 25.85 | 23 | 4745 | 31430 | 50568926 |
Shock | 26.27 | 25.85 | 19 | 4749 | 20631 | 50579725 |
Folate deficiency | 26.19 | 25.85 | 9 | 4759 | 1946 | 50598410 |
Naevus haemorrhage | 26.00 | 25.85 | 5 | 4763 | 103 | 50600253 |
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 |
---|---|---|---|---|---|---|
Agranulocytosis | 150.96 | 28.76 | 64 | 3322 | 20276 | 29550865 |
Hepatocellular injury | 138.49 | 28.76 | 61 | 3325 | 21182 | 29549959 |
Cholestasis | 114.15 | 28.76 | 55 | 3331 | 23407 | 29547734 |
Rash maculo-papular | 106.38 | 28.76 | 53 | 3333 | 24236 | 29546905 |
Drug reaction with eosinophilia and systemic symptoms | 99.27 | 28.76 | 53 | 3333 | 27939 | 29543202 |
Eosinophilia | 87.21 | 28.76 | 45 | 3341 | 22116 | 29549025 |
Alveolar lung disease | 85.04 | 28.76 | 17 | 3369 | 352 | 29570789 |
Pulmonary interstitial emphysema syndrome | 81.09 | 28.76 | 17 | 3369 | 449 | 29570692 |
Confusional state | 76.35 | 28.76 | 83 | 3303 | 127794 | 29443347 |
Hyperleukocytosis | 64.42 | 28.76 | 18 | 3368 | 1617 | 29569524 |
Diffuse alveolar damage | 60.46 | 28.76 | 18 | 3368 | 2025 | 29569116 |
Pancytopenia | 58.50 | 28.76 | 59 | 3327 | 83109 | 29488032 |
Urethral valves | 53.15 | 28.76 | 11 | 3375 | 272 | 29570869 |
Acute kidney injury | 52.71 | 28.76 | 102 | 3284 | 265165 | 29305976 |
Eosinophilic pneumonia | 50.60 | 28.76 | 17 | 3369 | 2829 | 29568312 |
Hyperammonaemia | 49.29 | 28.76 | 20 | 3366 | 5643 | 29565498 |
Oesophageal achalasia | 45.78 | 28.76 | 10 | 3376 | 322 | 29570819 |
Haemolytic anaemia | 42.49 | 28.76 | 21 | 3365 | 9398 | 29561743 |
Toxic skin eruption | 38.87 | 28.76 | 20 | 3366 | 9737 | 29561404 |
Generalised oedema | 36.33 | 28.76 | 20 | 3366 | 11145 | 29559996 |
Hepatitis | 36.26 | 28.76 | 25 | 3361 | 20758 | 29550383 |
Hepatic encephalopathy | 33.45 | 28.76 | 20 | 3366 | 13015 | 29558126 |
Pancreatitis acute | 32.67 | 28.76 | 25 | 3361 | 24360 | 29546781 |
Eczema | 32.36 | 28.76 | 20 | 3366 | 13806 | 29557335 |
Thrombocytopenia | 31.85 | 28.76 | 56 | 3330 | 134767 | 29436374 |
Mixed liver injury | 31.57 | 28.76 | 11 | 3375 | 2040 | 29569101 |
Neutropenia | 31.49 | 28.76 | 55 | 3331 | 131656 | 29439485 |
Cholestatic liver injury | 29.62 | 28.76 | 10 | 3376 | 1687 | 29569454 |
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 |
---|---|---|---|---|---|---|
Hepatocellular injury | 428.86 | 23.55 | 175 | 8090 | 45060 | 64445407 |
Cholestasis | 376.01 | 23.55 | 159 | 8106 | 44713 | 64445754 |
Drug reaction with eosinophilia and systemic symptoms | 182.23 | 23.55 | 103 | 8162 | 54114 | 64436353 |
Agranulocytosis | 154.31 | 23.55 | 82 | 8183 | 38147 | 64452320 |
Acute kidney injury | 134.14 | 23.55 | 220 | 8045 | 449020 | 64041447 |
Eosinophilia | 116.27 | 23.55 | 68 | 8197 | 38008 | 64452459 |
Rash maculo-papular | 105.49 | 23.55 | 69 | 8196 | 46957 | 64443510 |
Pancreatitis acute | 86.75 | 23.55 | 59 | 8206 | 42796 | 64447671 |
Thrombocytopenia | 79.51 | 23.55 | 119 | 8146 | 223682 | 64266785 |
Pulmonary interstitial emphysema syndrome | 79.26 | 23.55 | 17 | 8248 | 446 | 64490021 |
Confusional state | 77.73 | 23.55 | 128 | 8137 | 261016 | 64229451 |
Alveolar lung disease | 76.75 | 23.55 | 17 | 8248 | 520 | 64489947 |
Coma | 73.25 | 23.55 | 72 | 8193 | 87543 | 64402924 |
Mixed liver injury | 72.27 | 23.55 | 27 | 8238 | 5454 | 64485013 |
Fatigue | 68.54 | 23.55 | 8 | 8257 | 748722 | 63741745 |
Tonic clonic movements | 63.19 | 23.55 | 19 | 8246 | 1970 | 64488497 |
Drug dependence | 63.01 | 23.55 | 44 | 8221 | 33268 | 64457199 |
Hepatic cytolysis | 61.95 | 23.55 | 32 | 8233 | 14017 | 64476450 |
Hepatitis | 59.05 | 23.55 | 48 | 8217 | 45534 | 64444933 |
Hyperleukocytosis | 58.46 | 23.55 | 18 | 8247 | 2022 | 64488445 |
Acute generalised exanthematous pustulosis | 56.23 | 23.55 | 30 | 8235 | 14028 | 64476439 |
Encephalopathy | 54.16 | 23.55 | 51 | 8214 | 58768 | 64431699 |
Toxic skin eruption | 52.48 | 23.55 | 32 | 8233 | 19252 | 64471215 |
Pancytopenia | 51.95 | 23.55 | 77 | 8188 | 143232 | 64347235 |
Diffuse alveolar damage | 50.31 | 23.55 | 18 | 8247 | 3217 | 64487250 |
Peripheral nerve injury | 48.00 | 23.55 | 12 | 8253 | 624 | 64489843 |
Haemolytic anaemia | 47.20 | 23.55 | 28 | 8237 | 16025 | 64474442 |
Anticholinergic syndrome | 45.89 | 23.55 | 16 | 8249 | 2653 | 64487814 |
Febrile bone marrow aplasia | 42.16 | 23.55 | 23 | 8242 | 11232 | 64479235 |
Eosinophilic pneumonia | 40.84 | 23.55 | 17 | 8248 | 4560 | 64485907 |
Hyperammonaemia | 39.22 | 23.55 | 21 | 8244 | 9883 | 64480584 |
Neutropenia | 38.79 | 23.55 | 91 | 8174 | 239533 | 64250934 |
Oesophageal achalasia | 37.38 | 23.55 | 10 | 8255 | 680 | 64489787 |
Drug ineffective | 37.19 | 23.55 | 32 | 8233 | 840215 | 63650252 |
Foetal heart rate abnormal | 36.01 | 23.55 | 8 | 8257 | 248 | 64490219 |
Hyperbilirubinaemia | 35.47 | 23.55 | 26 | 8239 | 21179 | 64469288 |
Hyperthermia | 35.28 | 23.55 | 23 | 8242 | 15527 | 64474940 |
Anaphylactic shock | 35.24 | 23.55 | 30 | 8235 | 30298 | 64460169 |
Spinal epidural haemorrhage | 34.12 | 23.55 | 7 | 8258 | 147 | 64490320 |
Epidural haemorrhage | 33.03 | 23.55 | 7 | 8258 | 173 | 64490294 |
Pancreatic pseudoaneurysm | 31.95 | 23.55 | 6 | 8259 | 78 | 64490389 |
Gamma-glutamyltransferase increased | 31.75 | 23.55 | 35 | 8230 | 48475 | 64441992 |
Prothrombin time ratio decreased | 31.69 | 23.55 | 9 | 8256 | 764 | 64489703 |
Urinary retention | 31.35 | 23.55 | 35 | 8230 | 49166 | 64441301 |
Shock haemorrhagic | 31.32 | 23.55 | 22 | 8243 | 16769 | 64473698 |
Hepatic encephalopathy | 31.17 | 23.55 | 24 | 8241 | 21042 | 64469425 |
Transaminases increased | 30.63 | 23.55 | 33 | 8232 | 44561 | 64445906 |
Hyperlactacidaemia | 30.26 | 23.55 | 14 | 8251 | 4830 | 64485637 |
Cell death | 29.39 | 23.55 | 13 | 8252 | 4041 | 64486426 |
Generalised oedema | 29.21 | 23.55 | 23 | 8242 | 20830 | 64469637 |
Pneumonia | 29.00 | 23.55 | 18 | 8247 | 559558 | 63930909 |
Miosis | 28.58 | 23.55 | 19 | 8246 | 13247 | 64477220 |
Poisoning deliberate | 28.33 | 23.55 | 19 | 8246 | 13439 | 64477028 |
Epidural analgesia | 27.83 | 23.55 | 5 | 8260 | 50 | 64490417 |
Myoclonus | 27.46 | 23.55 | 24 | 8241 | 25094 | 64465373 |
Porphyria | 26.62 | 23.55 | 6 | 8259 | 199 | 64490268 |
Metabolic acidosis | 25.49 | 23.55 | 38 | 8227 | 70920 | 64419547 |
Cutaneous T-cell lymphoma | 25.33 | 23.55 | 10 | 8255 | 2342 | 64488125 |
Blood phosphorus decreased | 25.16 | 23.55 | 13 | 8252 | 5692 | 64484775 |
Pain | 24.52 | 23.55 | 21 | 8244 | 553490 | 63936977 |
Naevus haemorrhage | 24.46 | 23.55 | 5 | 8260 | 103 | 64490364 |
Hallucinations, mixed | 24.43 | 23.55 | 13 | 8252 | 6039 | 64484428 |
Symmetrical drug-related intertriginous and flexural exanthema | 24.42 | 23.55 | 7 | 8258 | 614 | 64489853 |
Prescription drug used without a prescription | 24.36 | 23.55 | 10 | 8255 | 2590 | 64487877 |
Hepatitis acute | 23.72 | 23.55 | 17 | 8248 | 13372 | 64477095 |
Granulomatous liver disease | 23.63 | 23.55 | 8 | 8257 | 1214 | 64489253 |
Headache | 23.56 | 23.55 | 20 | 8245 | 529447 | 63961020 |
None
Source | Code | Description |
---|---|---|
ATC | N02BG06 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Other analgesics and antipyretics |
MeSH PA | D000700 | Analgesics |
MeSH PA | D018712 | Analgesics, Non-Narcotic |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
CHEBI has role | CHEBI:35640 | adrenergic uptake inhibitors |
CHEBI has role | CHEBI:50949 | SSRI |
CHEBI has role | CHEBI:51039 | dopamine reuptake inhibitor |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 7.85 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Sodium channel protein type 5 subunit alpha | Ion channel | WOMBAT-PK | |||||||
Sodium-dependent serotonin transporter | Transporter | Ki | 7.54 | PDSP | |||||
Sodium-dependent noradrenaline transporter | Transporter | Ki | 7.48 | PDSP | |||||
5-hydroxytryptamine receptor 2A | GPCR | Ki | 5.77 | PDSP | |||||
5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.48 | PDSP | |||||
5-hydroxytryptamine receptor 2C | GPCR | Ki | 7.25 | PDSP | |||||
Sodium-dependent dopamine transporter | Transporter | Ki | 6.28 | PDSP |
ID | Source |
---|---|
N0000167217 | NUI |
D05133 | KEGG_DRUG |
23327-57-3 | SECONDARY_CAS_RN |
C0027556 | UMLSCUI |
CHEBI:88316 | CHEBI |
CHEMBL465026 | ChEMBL_ID |
DB12293 | DRUGBANK_ID |
D009340 | MESH_DESCRIPTOR_UI |
4450 | PUBCHEM_CID |
3018 | INN_ID |
4UP8060B7J | UNII |
4324 | RXNORM |
001582 | NDDF |
004636 | NDDF |
322300008 | SNOMEDCT_US |
350324006 | SNOMEDCT_US |
419768004 | SNOMEDCT_US |
CHEMBL1407915 | ChEMBL_ID |
None