Chembl236650
Chemical Properties
| SMILES | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1 |
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight | 613.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | KZZQDCIGVAXNMN-AZGAKELHSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |