CHEMBL5172765


SMILES COc1ccc(C(=O)Nc2cccc([C@@]3(C)O[C@@H]4CO[C@H]5N4[C@@H]3O[C@]5(C)c3cccc(NC(=O)c4ccc(OC)cc4)c3)c2)cc1
InChIKey CEFZLJAZLPOVTE-VNCSWJDHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 621.2

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 Human Orexin A pKi 6.96 6.96 6.96 ChEMBL
OX2 OX2R Human Orexin A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database