Drug Information

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
5283906
PubChem Substance ID
7851014, 8144069, 11039138, 16231841, 24892850, 39317284, 53788555, 57358968, 80908039, 93167042, 103578810, 113861399, 128387746, 135651407, 137099958, 160854671, 162225999, 163621310, 179663107, 184575714, 198981900, 223788810, 227842600, 249916063, 252363041
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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