Molecule Details
| InChIKey | NICHJJOSEXYBED-AMGIVPHBSA-N |
|---|---|
| Compound Name | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-1-piperazinyl}-5-chlorophenyl]-3-methylbutyl)-3-(dimethylamino)propionamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q92847 | GHSR | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |