CHEMBL4068314


SMILES Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C(F)(F)F)C1
InChIKey KHCMVIHRDMAXLD-CZUORRHYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
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 5.94 5.94 5.94 ChEMBL
OX2 OX2R Human Orexin A pKi 8.51 8.51 8.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.3 5.3 5.3 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.68 7.68 7.68 ChEMBL