CHEMBL3338848


SMILES COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC
InChIKey DDMRLRAWRUJYNZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 440.2

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 5.57 5.57 5.57 ChEMBL
OX2 OX2R Human Orexin A pKi 9.14 9.22 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.55 5.55 5.55 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.68 7.68 7.68 ChEMBL