CHEMBL3642133


SMILES COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1
InChIKey PYKHPQALSQAILK-RHSMWYFYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 392.2

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 4.9 4.9 4.9 ChEMBL
OX2 OX2R Human Orexin A pKi 7.94 7.94 7.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pIC50 7.17 7.17 7.17 ChEMBL