Drug Information

Drug General Information
Drug ID
D0Y1RT
Former ID
DNC000420
Drug Name
Chenodeoxycholate
Drug Type
Small molecular drug
Indication Discovery agent Phase 2 [522682]
Formula
C24H40O4
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI
1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey
RUDATBOHQWOJDD-BSWAIDMHSA-N
CAS Number
CAS 139953-73-4
PubChem Compound ID
10133
PubChem Substance ID
5536, 618559, 3139737, 7847231, 7850920, 8145528, 8157307, 11466313, 11467433, 11486145, 12012589, 14780857, 16232402, 24875071, 29203939, 29228666, 47291349, 47365439, 47589212, 48035379, 48110713, 48110714, 48185219, 48413394, 49699071, 49700781, 49747076, 49857244, 50109808, 53789450, 56463362, 57325983, 78337557, 88837631, 92125156, 92297901, 93167074, 99443291, 103542516, 103914020, 104253399, 104322469, 118253545, 121362827, 124535108, 124757518, 124800888, 124892083, 125164322, 125308814
Target and Pathway
Target(s) Bile acid receptor Target Info Agonist [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 522682ClinicalTrials.gov (NCT00912301) Cheno Effect on Transit in Health and IBS-C. U.S. National Institutes of Health.
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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