CHEMBL188651
| SMILES | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1 |
| InChIKey | AWDCZSOETVHKLV-RUZDIDTESA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 607.2 |
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 | 5.34 | 5.34 | 5.34 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |