CHEMBL3642132


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 413.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 4.46 4.46 4.46 ChEMBL
OX2 OX2R Human Orexin A pKi 5.87 5.87 5.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database