Drug General Information
Drug ID	D01KKU
Former ID	DNC009282
Drug Name	NSC-94258
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529519]
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	5281894
Target and Pathway
Target(s)	Aldose reductase	Target Info	Inhibitor	[525506]
	Cytochrome P450 19	Target Info	Inhibitor	[530867]
	Estradiol 17 beta-dehydrogenase 1	Target Info	Inhibitor	[529519]
BioCyc Pathway	Methylglyoxal degradation III
	Acetone degradation I (to methylglyoxal)PWY-7305:Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis II
	Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis I
KEGG Pathway	Pentose and glucuronate interconversions
	Fructose and mannose metabolism
	Galactose metabolism
	Glycerolipid metabolism
	Metabolic pathwayshsa00140:Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
	Ovarian steroidogenesis
NetPath Pathway	IL1 Signaling Pathway
	TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway	Androgen/estrogene/progesterone biosynthesisP02727:Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway	Fructose and Mannose Degradation
	Pyruvate Metabolism
	Pterine Biosynthesis
	Glycerolipid Metabolism
	Galactose MetabolismPW000045:Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome	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
	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 compoundsWP496:Steroid Biosynthesis
	Prostate Cancer
References
Ref 529519	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 525506	J Med Chem. 1999 Jun 3;42(11):1881-93.1-Benzopyran-4-one antioxidants as aldose reductase inhibitors.
Ref 529519	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 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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