CHEMBL255286
| SMILES | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 |
| InChIKey | MIAUOPQGTJQSKK-XQFUHLNNSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 619.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC4 | MC4R | Rat | Melanocortin | A | pIC50 | 8.82 | 8.82 | 8.82 | ChEMBL |
| MC4 | MC4R | Rat | Melanocortin | A | pEC50 | 7.99 | 7.99 | 7.99 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.04 | 6.04 | 6.04 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.87 | 7.87 | 7.87 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.39 | 8.39 | 8.39 | ChEMBL |