CHEMBL377961
| SMILES | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 |
| InChIKey | PUBNSQFRKLLQSF-NWBPNMJXSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 619.3 |
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 | 5.24 | 5.24 | 5.24 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 7.39 | 7.54 | 7.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |