CHEMBL4471376


SMILES CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2-c2ccccc2OC)sc2c1CCC2
InChIKey GJLLOKTZLWBJEY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 665.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 5.16 5.63 6.1 ChEMBL
OX2 OX2R Human Orexin A pKi 5.96 5.98 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.85 5.85 5.85 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.16 6.16 6.16 ChEMBL