CHEMBL467588
| SMILES | CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
| InChIKey | FISNMOAZOFAUNZ-PIKZIKFNSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 546.3 |
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 | 5.21 | 5.21 | 5.21 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |