CHEMBL4086531


SMILES Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIKey BLMDZTJHXQWVJS-CRAIPNDOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 402.2

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 6.94 6.94 6.94 ChEMBL
OX2 OX2R Human Orexin A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 6.0 6.0 6.0 ChEMBL
OX2 OX2R Human Orexin A pIC50 8.1 8.1 8.1 ChEMBL