CHEMBL4081615


SMILES COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1
InChIKey GNXXSBWPJIOWSN-DNVCBOLYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 432.2

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 5.93 5.93 5.93 ChEMBL
OX2 OX2R Human Orexin A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.21 5.21 5.21 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.89 7.89 7.89 ChEMBL