CHEMBL3585940


SMILES CCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1
InChIKey WTPOPKWPGATTAB-YADARESESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 413.2

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 6.92 6.92 6.92 ChEMBL
OX2 OX2R Human Orexin A pKi 8.15 8.15 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database