Drug Information

Drug General Information
Drug ID
D0W9ZC
Former ID
DNC010869
Drug Name
4-Imidazol-1-ylmethyl-1-nitrothioxanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551345]
Structure
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2D MOL

3D MOL
Formula
C17H11N3O3S
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)CN4C=CN=C4)[N+](=O)[<br />O-]
InChI
1S/C17H11N3O3S/c21-16-12-3-1-2-4-14(12)24-17-11(9-19-8-7-18-10-19)5-6-13(15(16)17)20(22)23/h1-8,10H,9H2
InChIKey
OCFFNJCKSSDREB-UHFFFAOYSA-N
PubChem Compound ID
46867540
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [551345]
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 551345Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51. doi: 10.1021/jm100319h.
Ref 551345Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51. doi: 10.1021/jm100319h.

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