CHEMBL6172334
| SMILES | CC(C)[C@H]1CN(CCN(CCN2C[C@H](Cc3c[nH]cn3)N(CCc3ccc(F)cc3)C2=N)CCN2C(=N)NC[C@@H]2CCO)C(=N)N1CCCC1CCCCC1 |
| InChIKey | HQSNQQOVKICPJZ-XEZIGOATSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 21 |
| Molecular weight (Da) | 762.6 |
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 | 5.47 | 5.47 | 5.47 | ChEMBL |
| MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
| MC4 | MC4R | Mouse | Melanocortin | A | pIC50 | 6.44 | 6.44 | 6.44 | ChEMBL |