CHEMBL3642128


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-n1nccn1
InChIKey HARDDASKVMKGRN-UKRRQHHQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 394.1

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 5.27 5.27 5.27 ChEMBL
OX2 OX2R Human Orexin A pKi 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pIC50 7.19 7.19 7.19 ChEMBL