CHEMBL1209707
SMILES | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C(C)(C)CO)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N |
InChIKey | RIESXOQQPSBSSY-JPYHZWLXSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 585.3 |
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 |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.55 | 8.55 | 8.55 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.59 | 8.59 | 8.59 | ChEMBL |