Drug Information

Drug General Information
Drug ID
D0A6BR
Former ID
DIB018637
Drug Name
5beta-cholestane-3alpha,7alpha,12alpha-triol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539844]
Structure
Download
2D MOL
Formula
C27H48O3
InChI
InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
RIVQQZVHIVNQFH-XJZYBRFWSA-N
PubChem Compound ID
160520
PubChem Substance ID
7816, 584956, 7851352, 8145629, 10254037, 15056143, 46235536, 52369181, 57349133, 93167101, 103070924, 103070925, 103081690, 103081691, 113444896, 126524068, 129135607, 131322011, 135165915, 135651411, 162547349, 164235047, 178100230, 179293215, 228613744
Target and Pathway
Target(s) Pregnane X receptor Target Info Agonist [526500]
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Pregnane X Receptor pathway
Drug Induction of Bile Acid Pathway
Nuclear Receptors
References
Ref 539844(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: 2803).
Ref 526500Identification of bile acid precursors as endogenous ligands for the nuclear xenobiotic pregnane X receptor. Proc Natl Acad Sci U S A. 2003 Jan 7;100(1):223-8. Epub 2002 Dec 30.

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