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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 99 | 138112-76-2 |
| Dose | Unit | Route |
|---|---|---|
| 25 | mg | O |
| Property | Value | Reference |
|---|---|---|
| fu (Fraction unbound in plasma) | 0.07 % | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| BA (Bioavailability) | 5 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 48 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2,PDK4 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 19, 2009 | EMA | Les Laboratoires Servier |
| 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 | 77.57 | 29.67 | 45 | 3036 | 93789 | 90531577 |
| Serotonin syndrome | 75.48 | 29.67 | 33 | 3048 | 37854 | 90587512 |
| Extrapyramidal disorder | 63.33 | 29.67 | 23 | 3058 | 16280 | 90609086 |
| Suicidal ideation | 59.90 | 29.67 | 35 | 3046 | 73820 | 90551546 |
| Intentional self-injury | 56.63 | 29.67 | 25 | 3056 | 29309 | 90596057 |
| Drug interaction | 55.51 | 29.67 | 57 | 3024 | 276396 | 90348970 |
| Suicide attempt | 54.04 | 29.67 | 33 | 3048 | 75366 | 90550000 |
| Lipoedema | 50.71 | 29.67 | 9 | 3072 | 340 | 90625026 |
| Selective eating disorder | 49.86 | 29.67 | 12 | 3069 | 2041 | 90623325 |
| Completed suicide | 48.86 | 29.67 | 40 | 3041 | 145018 | 90480348 |
| Toxicity to various agents | 44.93 | 29.67 | 52 | 3029 | 287794 | 90337572 |
| Serum serotonin increased | 40.84 | 29.67 | 7 | 3074 | 215 | 90625151 |
| Fistula discharge | 40.61 | 29.67 | 9 | 3072 | 1066 | 90624300 |
| Salivary hypersecretion | 39.72 | 29.67 | 14 | 3067 | 9078 | 90616288 |
| Spinal cord disorder | 37.24 | 29.67 | 9 | 3072 | 1556 | 90623810 |
| Tracheal injury | 35.58 | 29.67 | 6 | 3075 | 167 | 90625199 |
| Accelerated hypertension | 35.40 | 29.67 | 7 | 3074 | 477 | 90624889 |
| Hyponatraemia | 35.15 | 29.67 | 32 | 3049 | 133506 | 90491860 |
| Bladder spasm | 34.92 | 29.67 | 9 | 3072 | 2021 | 90623345 |
| Clonus | 33.55 | 29.67 | 11 | 3070 | 5739 | 90619627 |
| Spinal pain | 32.24 | 29.67 | 14 | 3067 | 15753 | 90609613 |
| Urinary tract infection enterococcal | 31.39 | 29.67 | 9 | 3072 | 3007 | 90622359 |
| Urinary incontinence | 30.95 | 29.67 | 18 | 3063 | 37548 | 90587818 |
| Overdose | 30.65 | 29.67 | 32 | 3049 | 157677 | 90467689 |
| Psychiatric decompensation | 30.45 | 29.67 | 8 | 3073 | 1935 | 90623431 |
| Lividity | 30.42 | 29.67 | 6 | 3075 | 403 | 90624963 |
| Sleep deficit | 30.36 | 29.67 | 7 | 3074 | 989 | 90624377 |
| Enuresis | 30.29 | 29.67 | 9 | 3072 | 3405 | 90621961 |
| Myelopathy | 30.21 | 29.67 | 9 | 3072 | 3435 | 90621931 |
| Endometrial cancer | 29.79 | 29.67 | 9 | 3072 | 3603 | 90621763 |
| Bradycardia neonatal | 29.72 | 29.67 | 7 | 3074 | 1086 | 90624280 |
| 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 |
|---|---|---|---|---|---|---|
| Hyperaesthesia | 56.36 | 36.92 | 17 | 1640 | 5935 | 42613743 |
| Anorgasmia | 55.33 | 36.92 | 12 | 1645 | 1125 | 42618553 |
| Tachycardia | 50.23 | 36.92 | 37 | 1620 | 101050 | 42518628 |
| Drug interaction | 37.88 | 36.92 | 49 | 1608 | 266950 | 42352728 |
| Reflux nephropathy | 37.54 | 36.92 | 5 | 1652 | 21 | 42619657 |
| 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 |
|---|---|---|---|---|---|---|
| Drug interaction | 101.95 | 29.07 | 118 | 4807 | 500065 | 110084309 |
| Tachycardia | 81.93 | 29.07 | 73 | 4852 | 226572 | 110357802 |
| Intentional overdose | 71.69 | 29.07 | 54 | 4871 | 132447 | 110451927 |
| Suicide attempt | 66.97 | 29.07 | 47 | 4878 | 103347 | 110481027 |
| Amaurosis fugax | 64.34 | 29.07 | 16 | 4909 | 2374 | 110582000 |
| Serotonin syndrome | 63.52 | 29.07 | 37 | 4888 | 59116 | 110525258 |
| Anorgasmia | 54.41 | 29.07 | 13 | 4912 | 1633 | 110582741 |
| Ocular discomfort | 48.02 | 29.07 | 17 | 4908 | 8516 | 110575858 |
| Somnolence | 47.18 | 29.07 | 62 | 4863 | 297387 | 110286987 |
| Urinary tract disorder | 46.09 | 29.07 | 15 | 4910 | 5829 | 110578545 |
| Head discomfort | 44.14 | 29.07 | 20 | 4905 | 18980 | 110565394 |
| Drug level increased | 43.82 | 29.07 | 27 | 4898 | 47692 | 110536682 |
| Intentional self-injury | 39.08 | 29.07 | 23 | 4902 | 37406 | 110546968 |
| Hyperaesthesia | 39.02 | 29.07 | 17 | 4908 | 14710 | 110569664 |
| Hyponatraemia | 38.63 | 29.07 | 48 | 4877 | 217605 | 110366769 |
| Haemorrhagic stroke | 36.80 | 29.07 | 16 | 4909 | 13773 | 110570601 |
| Extrapyramidal disorder | 36.21 | 29.07 | 20 | 4905 | 28847 | 110555527 |
| Suicidal ideation | 35.35 | 29.07 | 31 | 4894 | 93906 | 110490468 |
| Serum serotonin increased | 35.16 | 29.07 | 7 | 4918 | 375 | 110583999 |
| Anhedonia | 35.08 | 29.07 | 16 | 4909 | 15412 | 110568962 |
| Tracheal injury | 32.07 | 29.07 | 6 | 4919 | 231 | 110584143 |
| Lipoedema | 31.78 | 29.07 | 6 | 4919 | 243 | 110584131 |
| Asthenia | 30.56 | 29.07 | 83 | 4842 | 688916 | 109895458 |
| Drug ineffective | 29.94 | 29.07 | 140 | 4785 | 1520400 | 109063974 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N06AX22 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Other antidepressants |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Major depressive disorder | indication | 370143000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.7 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | GPCR | ANTAGONIST | Ki | 6.20 | IUPHAR | DRUG LABEL | |||
| Melatonin receptor type 1A | GPCR | AGONIST | Ki | 10.22 | CHEMBL | DRUG LABEL | |||
| Melatonin receptor type 1B | GPCR | AGONIST | Ki | 10 | CHEMBL | DRUG LABEL | |||
| 5-hydroxytryptamine receptor 2A | GPCR | ANTAGONIST | Ki | 5.40 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 2B | GPCR | ANTAGONIST | Ki | 6.60 | IUPHAR | ||||
| Melatonin receptor | GPCR | Ki | 10 | CHEMBL | |||||
| Melatonin receptor | GPCR | Ki | 9.28 | CHEMBL |
| ID | Source |
|---|---|
| D02578 | KEGG_DRUG |
| C0971637 | UMLSCUI |
| CHEBI:134990 | CHEBI |
| CHEMBL10878 | ChEMBL_ID |
| DB06594 | DRUGBANK_ID |
| C084711 | MESH_SUPPLEMENTAL_RECORD_UI |
| 82148 | PUBCHEM_CID |
| 198 | IUPHAR_LIGAND_ID |
| 7392 | INN_ID |
| 137R1N49AD | UNII |
| AWY | PDB_CHEM_ID |
| 013126 | NDDF |
| 698012009 | SNOMEDCT_US |
| 702952002 | SNOMEDCT_US |
| 137R1N49AD | INXIGHT DRUGS |
None