CHEMBL3642142


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(Cl)cc1-n1nccn1
InChIKey WCUGLZXLNMVHNW-RHSMWYFYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 422.1

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 5.96 5.98 6.0 ChEMBL
OX2 OX2R Human Orexin A pKi 8.89 8.93 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pIC50 7.77 7.84 7.92 ChEMBL
OX1 OX1R Rat Orexin A pIC50 5.42 5.45 5.47 ChEMBL