CHEMBL4065091


SMILES COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)n1
InChIKey VBNZBEIKQYOXMG-RHSMWYFYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 433.2

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 5.45 5.45 5.45 ChEMBL
OX2 OX2R Human Orexin A pKi 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.23 5.23 5.23 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.68 7.68 7.68 ChEMBL