Drug Information

Drug General Information
Drug ID
D0K9CR
Former ID
DNC000880
Drug Name
Lithocholate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541333]
Structure
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2D MOL

3D MOL
Formula
C24H40O3
InChI
InChI=1S/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey
SMEROWZSTRWXGI-HVATVPOCSA-N
CAS Number
CAS 434-13-9
PubChem Compound ID
9903
PubChem Substance ID
6705, 519980, 618557, 3139760, 7850891, 8142488, 8145633, 8157150, 10321189, 11433255, 11434447, 11466824, 11467944, 11486607, 14779920, 16088120, 17389842, 22391566, 24896429, 26752953, 26752955, 29204337, 29228460, 46488057, 47794598, 48317958, 48317959, 48393480, 48393481, 48413943, 48423616, 48425248, 49698644, 49854342, 50105564, 53789669, 56463230, 57325857, 76372942, 85195409, 87572051, 88837632, 92125898, 92297863, 93167072, 103542513, 103913669, 104056263, 104321848, 111677824
ChEBI ID
ChEBI:16325
Target and Pathway
Target(s) Bile acid receptor Target Info Antagonist [535475]
KEGG Pathway Bile secretion
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptor
Reactome Recycling of bile acids and salts
PPARA activates gene expression
Endogenous sterols
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Drug Induction of Bile Acid Pathway
References
Ref 541333(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: 611).
Ref 535475Lithocholic acid decreases expression of bile salt export pump through farnesoid X receptor antagonist activity. J Biol Chem. 2002 Aug 30;277(35):31441-7. Epub 2002 Jun 6.

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