Drug Information

Drug General Information
Drug ID
D0F4WQ
Former ID
DNC010867
Drug Name
1-(4-Nitro-2-phenylsulfanylbenzyl)-1H-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551345]
Structure
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2D MOL

3D MOL
Formula
C16H13N3O2S
Canonical SMILES
C1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])CN3C=CN=C3
InChI
1S/C16H13N3O2S/c20-19(21)14-7-6-13(11-18-9-8-17-12-18)16(10-14)22-15-4-2-1-3-5-15/h1-10,12H,11H2
InChIKey
FOCINXPGESCYHX-UHFFFAOYSA-N
PubChem Compound ID
46867547
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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