Drug Information

Drug General Information
Drug ID
D0X3DK
Former ID
DNC007022
Drug Name
KSP-BCS-1-alpha-CHF2-1624F2-2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528563]
Structure
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2D MOL

3D MOL
Formula
C30H44F4O2
Canonical SMILES
CCC(CC)(C(CCC(C)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)C(F)F)O<br />)C)(F)F)O
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
InChIKey
CUKDGTJRZFQGCK-HBXJJCJFSA-N
PubChem Compound ID
16094778
Target and Pathway
Target(s) Vitamin D receptor Target Info Inhibitor [528563]
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 528563J 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.
Ref 528563J 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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