CHEMBL237702
| SMILES | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 |
| InChIKey | IKCCMERSPGFYKB-OFWBYEQRSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 544.3 |
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 | Mouse | Melanocortin | A | pKi | 5.72 | 5.88 | 6.39 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.38 | 4.94 | 5.26 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.21 | 4.5 | 4.66 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.23 | 5.38 | 5.47 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |