CHEMBL403420
| SMILES | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 |
| InChIKey | BKPWIYNAJFNIBS-DSPMFFIESA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 573.3 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.91 | 5.91 | 5.91 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pIC50 | 4.91 | 4.91 | 4.91 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |