CHEMBL6175807
| SMILES | Cc1ccc(CCN2C(=N)N(CCN(CCN3C[C@H](CCO)N(CCCC4CCCCC4)C3=N)CCN3C(=N)NC[C@@H]3CCO)C[C@@H]2[C@@H](C)O)cc1 |
| InChIKey | FJAFHKKVYQCBAO-PONZHHSRSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 21 |
| Molecular weight (Da) | 724.5 |
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 |
| MC4 | MC4R | Mouse | Melanocortin | A | pKd | 6.6 | 6.6 | 6.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
| MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
| MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 6.12 | 6.12 | 6.12 | ChEMBL |