CHEMBL3426149


SMILES Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1
InChIKey DZHWCPHUSBPNJT-RHSMWYFYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 403.2

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 5.78 5.78 5.78 ChEMBL
OX2 OX2R Human Orexin A pKi 8.35 8.35 8.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.08 5.08 5.08 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.6 7.6 7.6 ChEMBL
OX2 OX2R Rat Orexin A pIC50 7.75 7.75 7.75 ChEMBL