| Stem definition | Drug id | CAS RN |
|---|---|---|
| 737 | 486-56-6 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 97 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.89 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 17 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 1000 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D007202 | Indicators and Reagents |
| CHEBI has role | CHEBI:35469 | antidepressants |
| CHEBI has role | CHEBI:59163 | biological marker |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| CHEBI has role | CHEBI:76967 | human xenobiotic metabolites |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.78 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-2 | Ion channel | WOMBAT-PK |
| ID | Source |
|---|---|
| D03596 | KEGG_DRUG |
| C0010194 | UMLSCUI |
| CHEBI:68641 | CHEBI |
| CHEMBL578211 | ChEMBL_ID |
| D003367 | MESH_DESCRIPTOR_UI |
| 854019 | PUBCHEM_CID |
| 1625 | INN_ID |
| 5695-98-7 | SECONDARY_CAS_RN |
| K5161X06LL | UNII |
| 115620009 | SNOMEDCT_US |
| U5H | PDB_CHEM_ID |
| CHEMBL3989573 | ChEMBL_ID |
None