CHEMBL4210783


SMILES O=C(NCCCN(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NCCCCOc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey MWROCFGTUYEBMJ-NKEXOLEJSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 13
Rotatable bonds 28
Molecular weight (Da) 1047.4

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 Mouse Bile acid A pEC50 7.4 7.4 7.4 ChEMBL