Drug Information

Drug General Information
Drug ID
D02QSH
Former ID
DNC008683
Drug Name
NSC-368280
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Structure
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2D MOL

3D MOL
Formula
C17H13FN2O3
Canonical SMILES
C1OC2=C(O1)C=C(C(=C2)C(C3=CC=C(C=C3)F)N4C=CN=C4)O
InChI
1S/C17H13FN2O3/c18-12-3-1-11(2-4-12)17(20-6-5-19-9-20)13-7-15-16(8-14(13)21)23-10-22-15/h1-9,17,21H,10H2
InChIKey
WOTHQAYNAPHLDM-UHFFFAOYSA-N
PubChem Compound ID
339914
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 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.
Ref 529860J 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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