obeticholic acid (Q15708271)

Obeticholic acid (English)

18 November 2016

chemical formula

C₂₆H₄₄O₄

1 reference

Obeticholic acid (English)

18 November 2016

canonical SMILES

CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O

1 reference

Obeticholic acid (English)

18 November 2016

isomeric 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

1 reference

Obeticholic acid (English)

https://www.whocc.no/atc_ddd_index/?code=A05AA04

18 November 2016

defined daily dose

10 milligram

route of administration

oral administration

1 reference

reference URL

inhibitor of

Col3a1

determination method or standard

EXP

Evidence & Conclusion Ontology ID

ECO_0007119

2 references

Therapeutic effects of obeticholic acid (OCA) treatment in a bleomycin-induced pulmonary fibrosis rat model

type of reference

review article

Type III collagen (COL3A1): Gene and protein structure, tissue distribution, and associated diseases.

1 reference

14 February 2018

World Health Organisation international non-proprietary name

acidum obeticholicum (Latin)

2 references

9084

5 November 2015

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

Proposed international nonproprietary names: list 101

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

130

obeticholic acid (English)

2 references

9084

5 November 2015

Proposed international nonproprietary names: list 101

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

130

acide obéticholique (French)

2 references

9084

5 November 2015

Proposed international nonproprietary names: list 101

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

130

ácido obeticólico (Spanish)

2 references

9084

5 November 2015

Proposed international nonproprietary names: list 101

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

130

обетихолевая кислота (Russian)

1 reference

9084

5 November 2015

حمض أسيتوم أوبيتيكوليك (Arabic)

1 reference

9084

5 November 2015

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

奥贝胆酸 (Chinese)

1 reference

9084

5 November 2015

https://mednet-communities.net/inn/db/ViewINN.aspx?i=9084

medical condition treated

ascending cholangitis

1 reference

Drug Indications Extracted from FAERS

2 October 2018

liver cirrhosis

1 reference

Drug Indications Extracted from FAERS

primary biliary cholangitis

2 October 2018

1 reference

Drug Indications Extracted from FAERS

physically interacts with

2 October 2018

Nuclear receptor subfamily 1 group H member 4

subject has role

agonist

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3435

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

17 August 2016

legal status (medicine)

boxed warning

1 reference

reference URL

LiverTox likelihood score

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

LiverTox toxicity likelihood category B

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/ObeticholicAcid

last update

10 December 2019

Identifiers

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

1 reference

Obeticholic acid (English)

18 November 2016

2 references

Obeticholic acid (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

459789-99-2

2 references

Global Substance Registration System

UNII

0462Z4S4OZ

obeticholic acid (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=459789-99-2

9 April 2021

1 reference

Obeticholic acid (English)

18 November 2016

2 references

Obeticholic acid (English)

18 November 2016

ChEBI ID

no value

0 references

43602

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

1 reference

OBETICHOLIC ACID (English)

18 November 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.238.318

27 December 2018

ECHA Substance Infocard ID

(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 (English)

quotation

CAS no.: 459789-99-2 (English)

100.238.318

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.238.318

27 December 2018

Guide to Pharmacology Ligand ID

(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 (English)

quotation

CAS no.: 459789-99-2 (English)

ATC code

A05AA04

0 references

3435

1 reference