CHEMBL4559564


SMILES COc1ccc2c3c1O[C@@H]1[C@H]3[C@@H](CC[C@H]1N(C)C(=O)/C=C/c1ccoc1)[C@H](N(CC1CC1)S(=O)(=O)c1ccccc1)C2
InChIKey VTGLFMAGTSQXRC-QLWSVJHKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 588.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database