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 | 335.03 | 26.84 | 115 | 4919 | 26399 | 56260634 |
Cholestasis | 329.46 | 26.84 | 114 | 4920 | 26799 | 56260234 |
Hepatic cytolysis | 113.42 | 26.84 | 41 | 4993 | 10865 | 56276168 |
Acute kidney injury | 108.67 | 26.84 | 120 | 4914 | 240643 | 56046390 |
Drug reaction with eosinophilia and systemic symptoms | 98.69 | 26.84 | 50 | 4984 | 30254 | 56256779 |
Acute generalised exanthematous pustulosis | 91.14 | 26.84 | 34 | 5000 | 9835 | 56277198 |
Thrombocytopenia | 72.07 | 26.84 | 74 | 4960 | 136150 | 56150883 |
Coma | 71.96 | 26.84 | 52 | 4982 | 59603 | 56227430 |
Foetal megacystis | 70.43 | 26.84 | 10 | 5024 | 26 | 56287007 |
Pancreatitis acute | 69.02 | 26.84 | 37 | 4997 | 25087 | 56261946 |
Drug dependence | 67.04 | 26.84 | 35 | 4999 | 22498 | 56264535 |
Tonic clonic movements | 63.31 | 26.84 | 16 | 5018 | 1254 | 56285779 |
Fatigue | 58.50 | 26.84 | 3 | 5031 | 788549 | 55498484 |
Peripheral nerve injury | 57.54 | 26.84 | 12 | 5022 | 398 | 56286635 |
Anticholinergic syndrome | 56.64 | 26.84 | 16 | 5018 | 1918 | 56285115 |
Mixed liver injury | 49.26 | 26.84 | 17 | 5017 | 3927 | 56283106 |
Shock haemorrhagic | 48.27 | 26.84 | 21 | 5013 | 9012 | 56278021 |
Miosis | 47.61 | 26.84 | 19 | 5015 | 6573 | 56280460 |
Spinal epidural haemorrhage | 45.63 | 26.84 | 8 | 5026 | 102 | 56286931 |
Hyperkalaemia | 41.06 | 26.84 | 35 | 4999 | 50830 | 56236203 |
Cell death | 41.02 | 26.84 | 13 | 5021 | 2306 | 56284727 |
Encephalopathy | 40.76 | 26.84 | 30 | 5004 | 35295 | 56251738 |
Epidural haemorrhage | 38.04 | 26.84 | 7 | 5027 | 119 | 56286914 |
Eosinophilia | 37.50 | 26.84 | 23 | 5011 | 20054 | 56266979 |
Metabolic acidosis | 37.15 | 26.84 | 30 | 5004 | 40424 | 56246609 |
Urinary bladder rupture | 36.91 | 26.84 | 7 | 5027 | 141 | 56286892 |
Hyperlactacidaemia | 35.63 | 26.84 | 12 | 5022 | 2576 | 56284457 |
Granulomatous liver disease | 35.24 | 26.84 | 9 | 5025 | 735 | 56286298 |
Cutaneous T-cell lymphoma | 34.12 | 26.84 | 10 | 5024 | 1365 | 56285668 |
Pancreatic pseudoaneurysm | 34.11 | 26.84 | 6 | 5028 | 78 | 56286955 |
Foetal heart rate abnormal | 33.01 | 26.84 | 8 | 5026 | 527 | 56286506 |
Agranulocytosis | 32.53 | 26.84 | 22 | 5012 | 22637 | 56264396 |
Stevens-Johnson syndrome | 32.53 | 26.84 | 22 | 5012 | 22641 | 56264392 |
Drug ineffective | 31.55 | 26.84 | 22 | 5012 | 918967 | 55368066 |
Naevus haemorrhage | 31.54 | 26.84 | 6 | 5028 | 123 | 56286910 |
Poisoning deliberate | 31.14 | 26.84 | 16 | 5018 | 9937 | 56277096 |
Blood phosphorus decreased | 30.54 | 26.84 | 12 | 5022 | 3985 | 56283048 |
Prescription drug used without a prescription | 30.53 | 26.84 | 10 | 5024 | 1970 | 56285063 |
Somnolence | 30.04 | 26.84 | 53 | 4981 | 163360 | 56123673 |
Myoclonus | 29.89 | 26.84 | 18 | 5016 | 15185 | 56271848 |
Porphyria | 29.78 | 26.84 | 6 | 5028 | 167 | 56286866 |
Epidural analgesia | 29.45 | 26.84 | 5 | 5029 | 52 | 56286981 |
Livedo reticularis | 29.34 | 26.84 | 10 | 5024 | 2225 | 56284808 |
Autonomic nervous system imbalance | 27.88 | 26.84 | 10 | 5024 | 2583 | 56284450 |
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 | 147.57 | 29.25 | 64 | 3604 | 21183 | 31672493 |
Hepatocellular injury | 137.00 | 29.25 | 61 | 3607 | 21483 | 31672193 |
Rash maculo-papular | 126.67 | 29.25 | 61 | 3607 | 25658 | 31668018 |
Cholestasis | 119.04 | 29.25 | 58 | 3610 | 25017 | 31668659 |
Drug reaction with eosinophilia and systemic symptoms | 117.73 | 29.25 | 61 | 3607 | 29957 | 31663719 |
Eosinophilia | 84.69 | 29.25 | 45 | 3623 | 23208 | 31670468 |
Alveolar lung disease | 84.23 | 29.25 | 17 | 3651 | 366 | 31693310 |
Pulmonary interstitial emphysema syndrome | 80.61 | 29.25 | 17 | 3651 | 457 | 31693219 |
Confusional state | 74.42 | 29.25 | 84 | 3584 | 133250 | 31560426 |
Hyperleukocytosis | 63.23 | 29.25 | 18 | 3650 | 1711 | 31691965 |
Diffuse alveolar damage | 59.62 | 29.25 | 18 | 3650 | 2101 | 31691575 |
Pancytopenia | 55.54 | 29.25 | 59 | 3609 | 87257 | 31606419 |
Acute kidney injury | 54.07 | 29.25 | 107 | 3561 | 279607 | 31414069 |
Urethral valves | 53.03 | 29.25 | 11 | 3657 | 272 | 31693404 |
Mixed liver injury | 49.59 | 29.25 | 16 | 3652 | 2321 | 31691355 |
Eosinophilic pneumonia | 49.01 | 29.25 | 17 | 3651 | 3080 | 31690596 |
Hyperammonaemia | 48.50 | 29.25 | 20 | 3648 | 5813 | 31687863 |
Oesophageal achalasia | 44.81 | 29.25 | 10 | 3658 | 352 | 31693324 |
Haemolytic anaemia | 41.49 | 29.25 | 21 | 3647 | 9775 | 31683901 |
Consciousness fluctuating | 38.09 | 29.25 | 11 | 3657 | 1100 | 31692576 |
Toxic skin eruption | 37.86 | 29.25 | 20 | 3648 | 10160 | 31683516 |
Generalised oedema | 35.58 | 29.25 | 20 | 3648 | 11481 | 31682195 |
Hepatitis | 34.66 | 29.25 | 25 | 3643 | 22041 | 31671635 |
Hepatic encephalopathy | 32.37 | 29.25 | 20 | 3648 | 13651 | 31680025 |
Pancreatitis acute | 31.35 | 29.25 | 25 | 3643 | 25575 | 31668101 |
Thrombocytopenia | 30.34 | 29.25 | 57 | 3611 | 142690 | 31550986 |
Eczema | 30.17 | 29.25 | 20 | 3648 | 15397 | 31678279 |
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 | 433.63 | 22.33 | 176 | 8668 | 45915 | 70873685 |
Cholestasis | 406.87 | 22.33 | 170 | 8674 | 47702 | 70871898 |
Drug reaction with eosinophilia and systemic symptoms | 199.96 | 22.33 | 111 | 8733 | 57902 | 70861698 |
Agranulocytosis | 157.96 | 22.33 | 84 | 8760 | 40214 | 70879386 |
Acute kidney injury | 137.60 | 22.33 | 226 | 8618 | 474398 | 70445202 |
Rash maculo-papular | 122.31 | 22.33 | 77 | 8767 | 50468 | 70869132 |
Hepatic cytolysis | 119.96 | 22.33 | 55 | 8789 | 19137 | 70900463 |
Eosinophilia | 114.37 | 22.33 | 68 | 8776 | 40251 | 70879349 |
Acute generalised exanthematous pustulosis | 98.97 | 22.33 | 45 | 8799 | 15352 | 70904248 |
Pancreatitis acute | 92.46 | 22.33 | 62 | 8782 | 45162 | 70874438 |
Mixed liver injury | 91.46 | 22.33 | 33 | 8811 | 6216 | 70913384 |
Thrombocytopenia | 90.34 | 22.33 | 129 | 8715 | 238981 | 70680619 |
Confusional state | 80.15 | 22.33 | 134 | 8710 | 284264 | 70635336 |
Pulmonary interstitial emphysema syndrome | 79.47 | 22.33 | 17 | 8827 | 453 | 70919147 |
Alveolar lung disease | 76.62 | 22.33 | 17 | 8827 | 539 | 70919061 |
Fatigue | 74.87 | 22.33 | 8 | 8836 | 824311 | 70095289 |
Coma | 73.89 | 22.33 | 73 | 8771 | 91771 | 70827829 |
Tonic clonic movements | 63.35 | 22.33 | 19 | 8825 | 2008 | 70917592 |
Drug dependence | 59.59 | 22.33 | 44 | 8800 | 37277 | 70882323 |
Hyperleukocytosis | 57.59 | 22.33 | 18 | 8826 | 2183 | 70917417 |
Toxic skin eruption | 57.12 | 22.33 | 34 | 8810 | 20128 | 70899472 |
Hepatitis | 56.32 | 22.33 | 48 | 8796 | 49932 | 70869668 |
Encephalopathy | 53.29 | 22.33 | 51 | 8793 | 61610 | 70857990 |
Pancytopenia | 50.43 | 22.33 | 77 | 8767 | 151030 | 70768570 |
Diffuse alveolar damage | 50.11 | 22.33 | 18 | 8826 | 3345 | 70916255 |
Peripheral nerve injury | 47.65 | 22.33 | 12 | 8832 | 661 | 70918939 |
Haemolytic anaemia | 46.74 | 22.33 | 28 | 8816 | 16766 | 70902834 |
Anticholinergic syndrome | 44.59 | 22.33 | 16 | 8828 | 2964 | 70916636 |
Febrile bone marrow aplasia | 44.14 | 22.33 | 24 | 8820 | 11967 | 70907633 |
Miosis | 43.15 | 22.33 | 25 | 8819 | 14076 | 70905524 |
Drug ineffective | 42.77 | 22.33 | 33 | 8811 | 939719 | 69979881 |
Neutropenia | 40.47 | 22.33 | 95 | 8749 | 257061 | 70662539 |
Eosinophilic pneumonia | 40.15 | 22.33 | 17 | 8827 | 4888 | 70914712 |
Hyperammonaemia | 39 | 22.33 | 21 | 8823 | 10272 | 70909328 |
Oesophageal achalasia | 37.21 | 22.33 | 10 | 8834 | 711 | 70918889 |
Hyperthermia | 36.82 | 22.33 | 24 | 8820 | 16647 | 70902953 |
Anaphylactic shock | 36.18 | 22.33 | 31 | 8813 | 32459 | 70887141 |
Foetal heart rate abnormal | 35.86 | 22.33 | 8 | 8836 | 260 | 70919340 |
Cell death | 35.86 | 22.33 | 15 | 8829 | 4185 | 70915415 |
Hyperbilirubinaemia | 34.66 | 22.33 | 26 | 8818 | 22542 | 70897058 |
Spinal epidural haemorrhage | 34.31 | 22.33 | 7 | 8837 | 147 | 70919453 |
Poisoning deliberate | 33.91 | 22.33 | 23 | 8821 | 17037 | 70902563 |
Gamma-glutamyltransferase increased | 33.00 | 22.33 | 36 | 8808 | 50649 | 70868951 |
Consciousness fluctuating | 32.19 | 22.33 | 11 | 8833 | 1765 | 70917835 |
Pancreatic pseudoaneurysm | 32.12 | 22.33 | 6 | 8838 | 78 | 70919522 |
Epidural haemorrhage | 31.76 | 22.33 | 7 | 8837 | 215 | 70919385 |
Prothrombin time ratio decreased | 31.73 | 22.33 | 9 | 8835 | 782 | 70918818 |
Myoclonus | 31.09 | 22.33 | 26 | 8818 | 26329 | 70893271 |
Pneumonia | 30.99 | 22.33 | 18 | 8826 | 596214 | 70323386 |
Hepatic encephalopathy | 30.71 | 22.33 | 24 | 8820 | 22094 | 70897506 |
Shock haemorrhagic | 30.37 | 22.33 | 22 | 8822 | 18084 | 70901516 |
Urinary retention | 30.26 | 22.33 | 35 | 8809 | 52485 | 70867115 |
Hyperlactacidaemia | 30.00 | 22.33 | 14 | 8830 | 5058 | 70914542 |
Transaminases increased | 29.93 | 22.33 | 33 | 8811 | 46985 | 70872615 |
Naevus haemorrhage | 29.55 | 22.33 | 6 | 8838 | 123 | 70919477 |
Generalised oedema | 28.94 | 22.33 | 23 | 8821 | 21685 | 70897915 |
Metabolic acidosis | 27.81 | 22.33 | 40 | 8804 | 74306 | 70845294 |
Epidural analgesia | 27.62 | 22.33 | 5 | 8839 | 54 | 70919546 |
Hallucination | 27.03 | 22.33 | 40 | 8804 | 76220 | 70843380 |
Hallucinations, mixed | 26.99 | 22.33 | 14 | 8830 | 6348 | 70913252 |
Porphyria | 26.58 | 22.33 | 6 | 8838 | 206 | 70919394 |
Hallucination, visual | 24.83 | 22.33 | 24 | 8820 | 29313 | 70890287 |
Cutaneous T-cell lymphoma | 24.80 | 22.33 | 10 | 8834 | 2543 | 70917057 |
Blood phosphorus decreased | 24.73 | 22.33 | 13 | 8831 | 6056 | 70913544 |
Granulomatous liver disease | 23.78 | 22.33 | 8 | 8836 | 1224 | 70918376 |
Symmetrical drug-related intertriginous and flexural exanthema | 23.70 | 22.33 | 7 | 8837 | 701 | 70918899 |
Target skin lesion | 23.56 | 22.33 | 5 | 8839 | 128 | 70919472 |
Hepatitis acute | 23.49 | 22.33 | 17 | 8827 | 13945 | 70905655 |
Prescription drug used without a prescription | 23.25 | 22.33 | 10 | 8834 | 2987 | 70916613 |
Respiratory gas exchange disorder | 23.14 | 22.33 | 7 | 8837 | 761 | 70918839 |
Dizziness | 22.73 | 22.33 | 15 | 8829 | 464126 | 70455474 |
Renal failure | 22.59 | 22.33 | 63 | 8781 | 189007 | 70730593 |
Stevens-Johnson syndrome | 22.50 | 22.33 | 25 | 8819 | 35882 | 70883718 |
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 |
C0027556 | UMLSCUI |
CHEBI:88316 | CHEBI |
CHEMBL465026 | ChEMBL_ID |
DB12293 | DRUGBANK_ID |
D009340 | MESH_DESCRIPTOR_UI |
4450 | PUBCHEM_CID |
3018 | INN_ID |
23327-57-3 | SECONDARY_CAS_RN |
4UP8060B7J | UNII |
4324 | RXNORM |
001582 | NDDF |
004636 | NDDF |
322300008 | SNOMEDCT_US |
350324006 | SNOMEDCT_US |
419768004 | SNOMEDCT_US |
CHEMBL1407915 | ChEMBL_ID |
None