Molecule Details
| InChIKey | SGEGOXDYSFKCPT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vilazodone |
| Canonical SMILES | N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.89 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06684 |
|---|---|
| Drug Name | Vilazodone |
| CAS Number | 163521-12-8 |
| Groups | approved investigational |
| ATC Codes | N06AX24 |
| Description | Vilazodone is a novel compound with combined high affinity and selectivity for the 5-hydroxytryptamine (5-HT) transporter and 5-HT(1A) receptors[Label,A177622]. Vilazodone may also be associated with less sexual dysfunction and weight gain[A6947]. Vilazodone was given FDA approval on January 21, 201... |
Categories: Agents that produce hypertension Antidepressive Agents Antidepressive Agents Indicated for Depression Benzofurans Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Indoles Membrane Transport Modulators Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors Piperazines Psychoanaleptics Psychotropic Drugs Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Agonists Serotonin Agents Serotonin Modulators Serotonin Receptor Agonists Serotonin antagonist and reuptake inhibitors (SARIs)
Cross-references: BindingDB: 50151982 ChEBI: 70707 CHEMBL439849 ChemSpider: 5293518 Drugs Product Database (DPD): 22626 D09698 PDB: YG7 PubChem:6918314 PubChem:175427083 RxCUI: 1086769 Wikipedia: Vilazodone ZINC: ZINC000001542113
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.6 | Ki | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 9.3 | IC50 | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.8 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.8 | IC50 | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.5 | IC50 | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | agonist | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |