| 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
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| 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
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None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.67 | Basic |
| pKa2 | 2.95 | Basic |
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| 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