Drug General Information
Drug ID
D01SZX
Former ID
DNC010872
Drug Name
1-Imidazol-1-ylmethylxanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551345]
Structure
Download
2D MOL

3D MOL

Formula
C17H12N2O2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3O2)CN4C=CN=C4
InChI
1S/C17H12N2O2/c20-17-13-5-1-2-6-14(13)21-15-7-3-4-12(16(15)17)10-19-9-8-18-11-19/h1-9,11H,10H2
InChIKey
FJYGKMHQKKRCON-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [551345]
Cytochrome P450 19 Target Info Inhibitor [551345]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211976:Endogenous sterols
WikiPathways Metapathway biotransformation
Steroid Biosynthesis
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation
Tryptophan metabolism
Ovarian Infertility Genes
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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