CHEMBL3669038


SMILES COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c1
InChIKey NQMXJDGDLYCCIO-SUMWQHHRSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 461.2

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 8.0 8.0 8.0 ChEMBL
OX2 OX2R Human Orexin A pKi 6.43 6.43 6.43 ChEMBL
OX1 OX1R Rat Orexin A pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database