CHEMBL213122
| SMILES | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 |
| InChIKey | RZLPZBLBQNNVLZ-YKSBVNFPSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 441.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC1 | MSHR | Human | Melanocortin | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.24 | 6.25 | 6.25 | ChEMBL |