CHEMBL3642122


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 406.2

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 5.54 5.54 5.54 ChEMBL
OX2 OX2R Human Orexin A pKi 8.46 8.46 8.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pIC50 7.54 7.54 7.54 ChEMBL