CHEMBL3741058
SMILES | COc1cccc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2cccc(C)c2)c1Cl |
InChIKey | YQKQIISGUJTESV-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 440.1 |
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 |
OX1 | OX1R | Human | Orexin | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |