| Drug General Information |
| Drug ID |
D01KKU
|
| Former ID |
DNC009282
|
| Drug Name |
NSC-94258
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C15H10O3
|
| Canonical SMILES |
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
|
| InChI |
1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
|
| InChIKey |
MQGPSCMMNJKMHQ-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Aldose reductase |
Target Info |
Inhibitor |
[2]
|
|---|
| Cytochrome P450 19 |
Target Info |
Inhibitor |
[3]
|
| Estradiol 17 beta-dehydrogenase 1 |
Target Info |
Inhibitor |
[1]
|
|
BioCyc Pathway
|
Methylglyoxal degradation III
|
|
Acetone degradation I (to methylglyoxal)PWY-7305:Superpathway of steroid hormone biosynthesis
|
|
Estradiol biosynthesis II
|
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Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
|
|
Estradiol biosynthesis I
|
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KEGG Pathway
|
Pentose and glucuronate interconversions
|
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Fructose and mannose metabolism
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Galactose metabolism
|
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Glycerolipid metabolism
|
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Metabolic pathwayshsa00140:Steroid hormone biosynthesis
|
|
Metabolic pathways
|
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Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
|
|
Ovarian steroidogenesis
|
|
NetPath Pathway
|
IL1 Signaling Pathway
|
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TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_25:FSH Signaling Pathway
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PANTHER Pathway
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Androgen/estrogene/progesterone biosynthesisP02727:Androgen/estrogene/progesterone biosynthesis
|
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PathWhiz Pathway
|
Fructose and Mannose Degradation
|
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Pyruvate Metabolism
|
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Pterine Biosynthesis
|
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Glycerolipid Metabolism
|
|
Galactose MetabolismPW000045:Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
|
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Reactome
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Endogenous sterolsR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)
|
|
WikiPathways
|
Metapathway biotransformation
|
|
Polyol Pathway
|
|
Metabolism of steroid hormones and vitamin DWP702:Metapathway biotransformation
|
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Tryptophan metabolism
|
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Oxidation by Cytochrome P450
|
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Ovarian Infertility Genes
|
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Metabolism of steroid hormones and vitamin D
|
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FSH signaling pathway
|
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Integrated Breast Cancer Pathway
|
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Phase 1 - Functionalization of compoundsWP496:Steroid Biosynthesis
|
|
Prostate Cancer
|
| References |
| REF 1 | J Med Chem. 2008 Jul 24;51(14):4188-99. Epub 2008 Jun 6.Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. |
|---|
| REF 2 | J Med Chem. 1999 Jun 3;42(11):1881-93.1-Benzopyran-4-one antioxidants as aldose reductase inhibitors. |
|---|
| REF 3 | 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). |
|---|
