CHEMBL3691847


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)n1
InChIKey DUSWDGIUZGEZMC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 443.2

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 8.3 8.3 8.3 ChEMBL
OX2 OX2R Human Orexin A pKi 6.88 6.88 6.88 ChEMBL
OX1 OX1R Human Orexin A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database