Molecule Details
| InChIKey | PNVNVHUZROJLTJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Venlafaxine |
| Canonical SMILES | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.3 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00285 |
|---|---|
| Drug Name | Venlafaxine |
| CAS Number | 93413-69-5 |
| Groups | approved investigational |
| ATC Codes | N06AX16 |
| Description | Venlafaxine is an antidepressant and a serotonin and norepinephrine reuptake inhibitor (SNRI). Its active metabolite, [desvenlafaxine], works by blocking the reuptake of serotonin and norepinephrine, which are key neurotransmitters in mood regulation. Venlafaxine is officially approved to treat majo... |
Categories: Agents producing tachycardia Agents that reduce seizure threshold Amines Antidepressive Agents Antidepressive Agents Indicated for Depression Antidepressive Agents, Second-Generation BCRP/ABCG2 Inducers Central Nervous System Agents Central Nervous System Depressants Combined Inhibitors of Serotonin/Norepinephrine Reuptake Cyclohexanes Cyclohexanols Cycloparaffins Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Ethylamines Hexanols Hypoglycemia-Associated Agents Membrane Transport Modulators Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors Norepinephrine Uptake Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Phenethylamines Potential QTc-Prolonging Agents Psychoanaleptics Psychotropic Drugs QTc Prolonging Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators Serotonin and Noradrenaline Reuptake Inhibitors
Cross-references: BindingDB: 82071 ChEBI: 9943 CHEMBL637 ChemSpider: 5454 Drugs Product Database (DPD): 11336 C07187 D08670 PharmGKB: PA451866 PubChem:5656 PubChem:46504593 RxCUI: 39786 Therapeutic Targets Database: DAP000054 Wikipedia: Venlafaxine
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.4 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P25929 | NPY1R | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| Q01959 | SLC6A3 | Sodium-dependent dopamine transporter | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inducer | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |