CHEMBL1209706
| SMILES | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CNC[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N |
| InChIKey | RCFUEUCKJWLBKQ-BKSPAHHJSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 513.2 |
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 |
| MT2 | MTR1B | Human | Melatonin | A | pEC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.11 | 7.11 | 7.11 | ChEMBL |