TTD | Drug: D0T3ED

Drug General Information
Drug ID	D0T3ED
Former ID	DNC008685
Drug Name	NSC-666292
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529860]
Structure		Download 2D MOL 3D MOL
Formula	C18H16ClN5
Canonical SMILES	CC1=NC2=C(C=C(C=C2)Cl)C(=C1CCN3C=CN=C3)N4C=CN=C4
InChI	1S/C18H16ClN5/c1-13-15(4-7-23-8-5-20-11-23)18(24-9-6-21-12-24)16-10-14(19)2-3-17(16)22-13/h2-3,5-6,8-12H,4,7H2,1H3
InChIKey	FNILEGFYDPTHBA-UHFFFAOYSA-N
PubChem Compound ID	44580826
Target and Pathway
Target(s)	Cytochrome P450 19	Target Info	Inhibitor	[529860]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis II
	Estradiol biosynthesis I
KEGG Pathway	Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesis
NetPath Pathway	FSH Signaling Pathway
PANTHER Pathway	Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway	Androgen and Estrogen Metabolism
Reactome	Endogenous sterols
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 compounds
References
Ref 529860	J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.
Ref 529860	J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.

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Drug Information