| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1480 | 54-92-2 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 35 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N06AF05 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Monoamine oxidase inhibitors, non-selective |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D008996 | Monoamine Oxidase Inhibitors |
| MeSH PA | D011619 | Psychotropic Drugs |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Depressive disorder | indication | 35489007 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.67 | acidic |
| pKa2 | 3.65 | Basic |
| pKa3 | 0.76 | Basic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Enzyme | INHIBITOR | IC50 | 5.12 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Amine oxidase [flavin-containing] A | Enzyme | INHIBITOR | IC50 | 5.18 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Amine oxidase [flavin-containing] B | Enzyme | IC50 | 5.12 | CHEMBL | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 5.30 | CHEMBL |
| ID | Source |
|---|---|
| N0000167316 | NUI |
| D02579 | KEGG_DRUG |
| 305-33-9 | SECONDARY_CAS_RN |
| C0022059 | UMLSCUI |
| CHEBI:5958 | CHEBI |
| CHEMBL92401 | ChEMBL_ID |
| DB04818 | DRUGBANK_ID |
| CHEMBL1256361 | ChEMBL_ID |
| D007490 | MESH_DESCRIPTOR_UI |
| 3748 | PUBCHEM_CID |
| 19 | INN_ID |
| D892HFI3XA | UNII |
| 353560 | RXNORM |
| 005260 | NDDF |
| 005261 | NDDF |
| 1217172005 | SNOMEDCT_US |
| 387438007 | SNOMEDCT_US |
| 76962009 | SNOMEDCT_US |
None