Discuss This Drug

obeticholic acid

CHEBI:CHEBI_43602

Definition

A dihydroxy-5beta-cholanic acid that is chenodeoxycholic acid carrying an additional ethyl substituent at the 6alpha-position. A semi-synthetic bile acid which acts as a farnesoid X receptor agonist and is used for treatment of primary biliary cholangitis.

Chemical Information

Molecular Formula
C26H44O4
Molecular Mass
420.626
Charge
0
SMILES
C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])CC)O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C
InChI
InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
InChIKey
ZXERDUOLZKYMJM-ZWECCWDJSA-N

Alternative Names

  • (3alpha,5beta,6alpha,7alpha)-6-ethyl-3,7-dihydroxycholan-24-oic acid
  • 6-ECDCA
  • 6-Ethyl-CDCA
  • 6-Ethylchenodeoxycholic acid
  • 6alpha-ethyl-3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
  • 6alpha-Ethyl-chenodeoxycholic acid
  • 6alpha-ethylchenodeoxycholic acid
  • INT 747
  • INT-747
  • INT747
  • obeticholic acid
  • Ocaliva

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1798288
oboInOwl#hasDbXref
Wikipedia:Obeticholic_acid
core#notation
CHEBI:43602

Additional References

Wikipedia:Obeticholic_acid

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1798288
oboInOwl#hasDbXref
Wikipedia:Obeticholic_acid
oboInOwl#hasAlternativeId
CHEBI:43599
oboInOwl#id
CHEBI:43602
core#notation
CHEBI:43602
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_62868
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_16755
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_12236
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_108652
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect24006
owl#annotatedSource
t218047
owl#someValuesFrom
t3028770