Drug General Information
Drug ID
D06RBG
Former ID
DIB018599
Drug Name
3-keto-lithocholic acid
Synonyms
dehydrolithocholic acid; 3-keto-LCA
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539812]
Structure
Download
2D MOL
Formula
C24H38O3
InChI
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey
KIQFUORWRVZTHT-OPTMKGCMSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Pregnane X receptor Target Info Agonist [526000]
Vitamin D receptor Target Info Agonist [526338]
KEGG Pathway Endocrine and other factor-regulated calcium reabsorption
Mineral absorption
Tuberculosis
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Vitamin D metabolism and pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Direct p53 effectors
RXR and RAR heterodimerization with other nuclear receptor
Retinoic acid receptors-mediated signaling
Validated transcriptional targets of deltaNp63 isoforms
Validated transcriptional targets of TAp63 isoforms
Reactome Nuclear Receptor transcription pathway
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Pregnane X Receptor pathway
Drug Induction of Bile Acid Pathway
Nuclear ReceptorsWP34:Ovarian Infertility Genes
Vitamin D Receptor Pathway
Nuclear Receptors
Vitamin D Metabolism
References
Ref 539812(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2766).
Ref 526000The nuclear receptor PXR is a lithocholic acid sensor that protects against liver toxicity. Proc Natl Acad Sci U S A. 2001 Mar 13;98(6):3369-74.
Ref 526338Vitamin D receptor as an intestinal bile acid sensor. Science. 2002 May 17;296(5571):1313-6.

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