Molecule Details
| InChIKey | HLKCUDXXFULFRD-MCYVLLSASA-N |
|---|---|
| Compound Name | N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide |
| Canonical SMILES | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.4 |
| 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 |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |