Molecule Details
| InChIKey | BSMNRYCSBFHEMQ-KCJUWKMLSA-N |
|---|---|
| Compound Name | Amitifadine |
| Canonical SMILES | Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05964 |
|---|---|
| Drug Name | Amitifadine |
| CAS Number | 410074-73-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Stereoisomerism
Cross-references: BindingDB: 50386812 CHEMBL592374 ChemSpider: 9833390 Wikipedia: Amitifadine ZINC: ZINC000000003189
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.2 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.0 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P14416 | DRD2 | D(2) dopamine receptor | binder | targets |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| Q01959 | SLC6A3 | Sodium-dependent dopamine transporter | inhibitor | targets |