CHEMBL2078649
| SMILES | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O |
| InChIKey | ZJYKGDVMVZJRPS-GMNYBAGFSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 693.4 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.44 | 7.44 | 7.44 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |