CHEMBL4094009


SMILES COc1ccc(SCc2cnc(SCc3c(F)cc(C(=O)NC(CCCNC(=N)N)C(=O)O)cc3F)n2-c2ccc(F)cc2)cc1OC
InChIKey KHXXUSRIAHCSJE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 16
Molecular weight (Da) 702.2

Drug properties

Molecular type Small molecule
Physiological/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 Mouse Bile acid A pEC50 6.12 6.12 6.12 ChEMBL
GPBA GPBAR Human Bile acid A pEC50 4.43 4.43 4.43 ChEMBL