Molecule Details
| InChIKey | NAUWTFJOPJWYOT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vanoxerine |
| Canonical SMILES | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03701 |
|---|---|
| Drug Name | Vanoxerine |
| CAS Number | 67469-69-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Vanoxerine is a highly selective dopamine transporter antagonist. It was synthesized in the late 1970s and developed as a potential treatment for depression.[A19824] Vanoxerine was later evaluated as a potential treatment for cocaine addiction due to its ability to block dopamine reuptake with a slo... |
Categories: Antiarrhythmic agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dopamine Agents Dopamine Uptake Inhibitors Membrane Transport Modulators Neurotransmitter Agents Neurotransmitter Uptake Inhibitors
Cross-references: BindingDB: 22165 ChEBI: 64089 CHEMBL281594 ChemSpider: 3337 PDB: A1D5S PubChem:3455 PubChem:46504818 Therapeutic Targets Database: DCL001032 Wikipedia: Vanoxerine ZINC: ZINC000022034135
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.4 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 7.0 | IC50 | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.8 | Ki | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.3 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |