CHEMBL3669039


SMILES C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1
InChIKey FSJKTNCHWPGSBK-SWLSCSKDSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 449.2

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 7.7 7.7 7.7 ChEMBL
OX2 OX2R Human Orexin A pKi 6.31 6.31 6.31 ChEMBL
OX1 OX1R Human Orexin A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database