Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06RBG
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| Former ID |
DIB018599
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| Drug Name |
3-keto-lithocholic acid
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| Synonyms |
dehydrolithocholic acid; 3-keto-LCA
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C24H38O3
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| Canonical SMILES |
CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
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| 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
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| InChIKey |
KIQFUORWRVZTHT-OPTMKGCMSA-N
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| CAS Number |
CAS 1553-56-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:17639
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Pregnane X receptor (NR1I2) | Target Info | Agonist | [2] |
| Vitamin D3 receptor (VDR) | Target Info | Agonist | [3] | |
| 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 Receptors | ||||
| Ovarian Infertility Genes | ||||
| Vitamin D Receptor Pathway | ||||
| Vitamin D Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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 2 | The 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 3 | Vitamin D receptor as an intestinal bile acid sensor. Science. 2002 May 17;296(5571):1313-6. | |||
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