API reference
Obeticholic acid
- CAS number
- 459789-99-2
- Molecular formula
- C26H44O4
- Molecular weight
- 420.6 g/mol
About this molecule
Obeticholic Acid is an orally bioavailable semi-synthetic bile acid derivative and an agonist of the nuclear bile acid receptor farnesoid X receptor (FXR) that may be used to lower hepatic exposure to bile acids. Upon oral administration, obeticholic acid targets and binds to FXR expressed in the liver and intestine, activating FXR-mediated bile acid, inflammatory, fibrotic, and metabolic pathways. This suppresses the production of bile acid in the hepatocytes and increases bile acid transport out of the hepatocytes, thereby reducing hepatic exposure to bile acids. FXR plays an important role in bile acid homeostasis and is involved in hepatic and intestinal inflammation and liver fibrosis.
Source: NCI Thesaurus (NCIt), via PubChem.
Identifiers
- IUPAC name
- (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- InChIKey
- ZXERDUOLZKYMJM-ZWECCWDJSA-N
- SMILES
- CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
- PubChem CID
- 447715
Also known as
Obeticholic acid · 6-ECDCA · INT-747 · 6-Ethylchenodeoxycholic acid · Ocaliva · 6-Ethyl-CDCA · acido obeticolico · acide obeticholique
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