Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02UQX
|
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| Former ID |
DNC005194
|
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| Drug Name |
BIOCHANIN
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [528213] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H12O5
|
||||
| Canonical SMILES |
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
|
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| InChI |
1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
|
||||
| InChIKey |
WUADCCWRTIWANL-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 19 | Target Info | Inhibitor | [530867] | |
| Beta-hydroxyacyl-acp dehydratase | Target Info | Inhibitor | [528213] | ||
| Fatty acid synthase | Target Info | Inhibitor | [528213] | ||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| Pathway Interaction Database | p73 transcription factor network | ||||
| Validated transcriptional targets of deltaNp63 isoforms | |||||
| PathWhiz Pathway | Androgen and Estrogen MetabolismPW000167:Fatty Acid Biosynthesis | ||||
| WikiPathways | Metapathway biotransformation | ||||
| Tryptophan metabolism | |||||
| Oxidation by Cytochrome P450 | |||||
| Ovarian Infertility Genes | |||||
| Metabolism of steroid hormones and vitamin D | |||||
| FSH signaling pathway | |||||
| Integrated Breast Cancer Pathway | |||||
| Phase 1 - Functionalization of compoundsWP357:Fatty Acid Biosynthesis | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Liver X Receptor Pathway | |||||
| Activation of Gene Expression by SREBP (SREBF) | |||||
| SREBF and miR33 in cholesterol and lipid homeostasis | |||||
| SREBP signalling | |||||
| Metabolism of water-soluble vitamins and cofactors | |||||
| Integration of energy metabolism | |||||
| Fatty acid, triacylglycerol, and ketone body metabolism | |||||
| AMPK Signaling | |||||
| References | |||||
| Ref 528213 | J Med Chem. 2006 Jun 1;49(11):3345-53.Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. | ||||
| Ref 530867 | Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). | ||||
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