Drug Information

Drug General Information
Drug ID
D04WJN
Former ID
DNC004478
Drug Name
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551345]
Structure
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2D MOL

3D MOL
Formula
C17H12N2O2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)CN4C=CN=C4
InChI
1S/C17H12N2O2/c20-17-13-3-1-2-4-15(13)21-16-9-12(5-6-14(16)17)10-19-8-7-18-11-19/h1-9,11H,10H2
InChIKey
GFCUIFVKCOEHQN-UHFFFAOYSA-N
PubChem Compound ID
10588478
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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