CHEMBL3669035


SMILES Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1
InChIKey PGWRQUUZMGZTCL-GOEBONIOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 457.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.64 7.64 7.64 ChEMBL
OX2 OX2R Human Orexin A pKi 6.76 6.76 6.76 ChEMBL
OX1 OX1R Human Orexin A pKi 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database