CHEMBL233758
| SMILES | CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 |
| InChIKey | DADQHECQKQBHAW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 574.4 |
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 | 5.03 | 5.03 | 5.03 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |