Molecule Details
| InChIKey | ZHPMYDSXGRRERG-DEOSSOPVSA-N |
|---|---|
| Compound Name | 4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide |
| Canonical SMILES | Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.89 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12341 |
|---|---|
| Drug Name | Aticaprant |
| CAS Number | 1174130-61-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Aticaprant has been used in trials studying the health services research and basic science of Anxiety Disorders and Alcohol Dependence. |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates Central Nervous System Agents Opioid Antagonists Peripheral Nervous System Agents Sensory System Agents
Cross-references: BindingDB: 50358171 CHEMBL1921847 ChemSpider: 28424203 PubChem:44129648 PubChem:347828600 Wikipedia: Aticaprant ZINC: ZINC000043206677
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P41145 | OPRK1 | Kappa-type opioid receptor | antagonist | targets |