Molecule Details
| InChIKey | HLCHESOMJVGDSJ-LOYHVIPDSA-N |
|---|---|
| Compound Name | (3R)-N-((1R)-1-((4-Chlorophenyl)methyl)-2-(4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl)-2-oxoethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide |
| Canonical SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |