Molecule Details
| InChIKey | KDEFFRZENHEKTD-AREMUKBSSA-N |
|---|---|
| Compound Name | [(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-carbamic acid 2-fluoro-ethyl ester |
| Canonical SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |