Stem definition | Drug id | CAS RN |
---|---|---|
2863 | 56775-88-3 |
Dose | Unit | Route |
---|---|---|
0.20 | g | O |
Property | Value | Reference |
---|---|---|
BA (Bioavailability) | 29 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 6.80 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 13.80 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.09 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 6.26 hours | Lombardo F, Berellini G, Obach RS |
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 |
None
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | N06AB02 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Selective serotonin reuptake inhibitors |
MeSH PA | D049990 | Membrane Transport Modulators |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D014179 | Neurotransmitter Uptake Inhibitors |
MeSH PA | D017367 | Selective Serotonin Reuptake Inhibitors |
MeSH PA | D018490 | Serotonin Agents |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.67 | Basic |
pKa2 | 2.95 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
D(2) dopamine receptor | GPCR | Ki | 5.73 | PDSP | |||||
Sodium-dependent serotonin transporter | Transporter | Ki | 6.82 | PDSP | |||||
Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.03 | PDSP |
ID | Source |
---|---|
D06367 | KEGG_DRUG |
C0043479 | UMLSCUI |
CHEBI:135357 | CHEBI |
CHEMBL37744 | ChEMBL_ID |
DB04832 | DRUGBANK_ID |
D015031 | MESH_DESCRIPTOR_UI |
5365247 | PUBCHEM_CID |
4067 | INN_ID |
3J928617DW | UNII |
96201004 | SNOMEDCT_US |
CHEMBL1257002 | ChEMBL_ID |
CHEMBL2355333 | ChEMBL_ID |
None