CHEMBL3338846


SMILES COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC
InChIKey RONPUQMRCFZQLJ-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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 6.14 6.14 6.14 ChEMBL
OX2 OX2R Human Orexin A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.7 5.7 5.7 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.89 7.89 7.89 ChEMBL