CHEMBL365039
| SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 |
| InChIKey | OUXUPILGGCGFJJ-STXVGSIRSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 575.3 |
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 | Human | Melanocortin | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 6.58 | 7.79 | 9.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |