Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X3DK
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| Former ID |
DNC007022
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| Drug Name |
KSP-BCS-1-alpha-CHF2-1624F2-2
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| Synonyms |
CHEMBL220140; KSP-BCS-1-alpha-CHF2-1624F2-2
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C30H44F4O2
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| Canonical SMILES |
CCC(CC)(C(CCC(C)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)C(F)F)O)C)(F)F)O
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| InChI |
1S/C30H44F4O2/c1-6-29(36,7-2)30(33,34)16-14-19(3)25-12-13-26-21(9-8-15-28(25,26)5)10-11-22-17-23(35)18-24(20(22)4)27(31)32/h10-12,19,23-24,26-27,35-36H,4,6-9,13-18H2,1-3,5H3/b21-10+,22-11-/t19-,23-,24+,26+,28-/m1/s1
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| InChIKey |
CUKDGTJRZFQGCK-HBXJJCJFSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vitamin D3 receptor (VDR) | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Low-calcemic, highly antiproliferative, 1-difluoromethyl hybrid analogs of the natural hormone 1alpha,25-dihydroxyvitamin D3: design, synthesis, an... J Med Chem. 2006 Dec 14;49(25):7513-7. | |||
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