CHEMBL4117239


SMILES COc1ccc(SCc2cnc(SCc3c(F)cc(S(=O)(=O)NCCC[N+](C)(C)C)cc3F)n2-c2ccc(F)cc2)cc1OC
InChIKey NXFCNVZSFFVFAM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 15
Molecular weight (Da) 681.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPBA GPBAR Human Bile acid A pEC50 4.53 4.53 4.53 ChEMBL
GPBA GPBAR Mouse Bile acid A pEC50 5.03 5.03 5.03 ChEMBL