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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2123 | 51-71-8 |
| Dose | Unit | Route |
|---|---|---|
| 60 | mg | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 50 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,ALK,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAP4K3,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 54 | |||
| kinase-selectivity-class | AKT2,AKT3,AXL,BRAF,CAMK2D,CDK7,DDR1,EIF2AK3,EPHB4,FLT3,GRK2,INSR,MAP4K1,MAP4K3,MAPK12,MAPK7,MELK,NUAK1,PAK4,PDK4,PRKACA,PRKCD,PRKG1,ROCK1,SIK2,SIK3,STK33,TEK,ULK2 | 29 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 9, 1961 | FDA | PARKE DAVIS |
| 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 |
|---|---|---|---|---|---|---|
| Serotonin syndrome | 130.24 | 35.76 | 38 | 1080 | 37849 | 90589480 |
| Drug interaction | 94.16 | 35.76 | 52 | 1066 | 276401 | 90350928 |
| Product complaint | 48.30 | 35.76 | 14 | 1104 | 13486 | 90613843 |
| Hypertensive crisis | 44.49 | 35.76 | 14 | 1104 | 17770 | 90609559 |
| Food interaction | 35.79 | 35.76 | 7 | 1111 | 1257 | 90626072 |
| 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 ineffective | 43.24 | 41.53 | 42 | 411 | 630155 | 41990727 |
| 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 |
|---|---|---|---|---|---|---|
| Serotonin syndrome | 141.86 | 31.87 | 44 | 1200 | 59109 | 110528946 |
| Drug interaction | 98.63 | 31.87 | 64 | 1180 | 500119 | 110087936 |
| Hypertensive crisis | 33.68 | 31.87 | 12 | 1232 | 24360 | 110563695 |
| Food interaction | 32.71 | 31.87 | 7 | 1237 | 2145 | 110585910 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N06AF03 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Monoamine oxidase inhibitors, non-selective |
| FDA MoA | N0000000184 | Monoamine Oxidase Inhibitors |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D008996 | Monoamine Oxidase Inhibitors |
| MeSH PA | D011619 | Psychotropic Drugs |
| FDA EPC | N0000175744 | Monoamine Oxidase Inhibitor |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Depressive disorder | indication | 35489007 | |
| Bulimia nervosa | off-label use | 78004001 | |
| Suicidal thoughts | contraindication | 6471006 | |
| Alcoholism | contraindication | 7200002 | |
| Bipolar disorder | contraindication | 13746004 | DOID:3312 |
| Feeling agitated | contraindication | 24199005 | |
| Orthostatic hypotension | contraindication | 28651003 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Chronic heart failure | contraindication | 48447003 | |
| Anxiety | contraindication | 48694002 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Schizophrenia | contraindication | 58214004 | DOID:5419 |
| Cerebrovascular disease | contraindication | 62914000 | DOID:6713 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Seizure disorder | contraindication | 128613002 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Angina pectoris | contraindication | 194828000 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Hypoglycemic disorder | contraindication | 237630007 | |
| Syncope | contraindication | 271594007 | |
| Pheochromocytoma | contraindication | 302835009 | |
| Myelogram | contraindication | 367401004 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Hypertensive Emergencies | contraindication | ||
| Severe Headache Disorder | contraindication | ||
| Frequent Headache Disorder | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.59 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Enzyme | INHIBITOR | IC50 | 6.84 | DRUG MATRIX | CHEMBL | |||
| Amine oxidase [flavin-containing] B | Enzyme | INHIBITOR | Ki | 7.82 | IUPHAR | CHEMBL | |||
| Cytochrome P450 2D6 | Enzyme | IC50 | 6 | DRUG MATRIX | |||||
| Cytochrome P450 2C8 | Enzyme | INHIBITOR | Ki | 5.14 | IUPHAR | ||||
| Cytochrome P450 2C9 | Enzyme | IC50 | 5.40 | DRUG MATRIX | |||||
| Cytochrome P450 2C19 | Enzyme | IC50 | 6.10 | DRUG MATRIX | |||||
| Membrane primary amine oxidase | Enzyme | IC50 | 7.70 | CHEMBL | |||||
| Indoleamine 2,3-dioxygenase 1 | Enzyme | IC50 | 4.85 | CHEMBL | |||||
| Lysine-specific histone demethylase 1A | Enzyme | Ki | 4.75 | CHEMBL | |||||
| Cytochrome P450 3A4 | Enzyme | IC50 | 5.70 | DRUG MATRIX | |||||
| FAD-linked sulfhydryl oxidase ALR | Enzyme | AC50 | 5.12 | CHEMBL | |||||
| Sodium-dependent dopamine transporter | Transporter | Ki | 5.08 | PDSP | |||||
| Amine oxidase [flavin-containing] B | Enzyme | IC50 | 7.12 | CHEMBL | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 7.52 | CHEMBL |
| ID | Source |
|---|---|
| 4019886 | VUID |
| N0000147971 | NUI |
| D00505 | KEGG_DRUG |
| 156-51-4 | SECONDARY_CAS_RN |
| 4018632 | VANDF |
| 4019886 | VANDF |
| C0031392 | UMLSCUI |
| CHEBI:8060 | CHEBI |
| CHEMBL1089 | ChEMBL_ID |
| 3675 | PUBCHEM_CID |
| DB00780 | DRUGBANK_ID |
| CHEMBL1200895 | ChEMBL_ID |
| D010624 | MESH_DESCRIPTOR_UI |
| 919 | INN_ID |
| 7266 | IUPHAR_LIGAND_ID |
| O408N561GF | UNII |
| 8123 | RXNORM |
| 178818 | MMSL |
| 5269 | MMSL |
| d00883 | MMSL |
| 001495 | NDDF |
| 004596 | NDDF |
| 21614004 | SNOMEDCT_US |
| 387528000 | SNOMEDCT_US |
| 9500005 | SNOMEDCT_US |
| O408N561GF | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Nardil | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0071-0350 | TABLET, FILM COATED | 15 mg | ORAL | NDA | 19 sections |
| Phenelzine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 40032-360 | TABLET | 15 mg | ORAL | ANDA | 13 sections |
| Phenelzine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43386-360 | TABLET | 15 mg | ORAL | ANDA | 15 sections |
| phenelzine sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 59762-0119 | TABLET, FILM COATED | 15 mg | ORAL | NDA AUTHORIZED GENERIC | 20 sections |