Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0XZ2P
|
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| Former ID |
DNC007021
|
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| Drug Name |
KSP-BCS-1-alpha-CHF2-20-epi-22-oxabishomo-26-OH
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C30H48F2O3
|
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| Canonical SMILES |
CCC(CC)(CCCOC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)C(F)F)O)<br />C)O
|
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| InChI |
1S/C30H48F2O3/c1-6-30(34,7-2)16-9-17-35-21(4)26-13-14-27-22(10-8-15-29(26,27)5)11-12-23-18-24(33)19-25(20(23)3)28(31)32/h11-12,21,24-28,33-34H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25+,26-,27+,29-/m1/s1
|
||||
| InChIKey |
JHEXIWJRXZGBMA-AFLZJIMUSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vitamin D receptor | Target Info | Inhibitor | [1] | |
| 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 | Ovarian Infertility Genes | ||||
| Nuclear Receptors in Lipid Metabolism and Toxicity | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Vitamin D Receptor Pathway | |||||
| Drug Induction of Bile Acid Pathway | |||||
| Nuclear Receptors | |||||
| Vitamin D Metabolism | |||||
| References | |||||
| REF 1 | J Med Chem. 2006 Dec 14;49(25):7513-7.Low-calcemic, highly antiproliferative, 1-difluoromethyl hybrid analogs of the natural hormone 1alpha,25-dihydroxyvitamin D3: design, synthesis, and preliminary biological evaluation. | ||||
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