CHEMBL3663539


SMILES COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1
InChIKey LQPPOVHHSVJDQQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 459.2

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 Rat Orexin A pKi 7.5 7.5 7.5 ChEMBL
OX1 OX1R Human Orexin A pKi 7.54 7.54 7.54 ChEMBL
OX2 OX2R Human Orexin A pKi 6.58 6.58 6.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database