chenodeoxycholic acid


SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
InChIKey RUDATBOHQWOJDD-BSWAIDMHSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 392.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FPR1 FPR1 Human Formylpeptide A pKi 4.0 4.0 4.0 Guide to Pharmacology
FPR1 FPR1 Human Formylpeptide A pKi 8.4 8.4 8.4 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPBA GPBAR Human Bile acid A pEC50 5.4 5.4 5.4 Guide to Pharmacology
GPBA GPBAR Human Bile acid A pEC50 8.27 8.27 8.27 Drug Central
GPBA GPBAR Human Bile acid A pEC50 4.48 4.89 5.21 ChEMBL