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