Drug Information

Drug General Information
Drug ID
D07IQG
Former ID
DNC004437
Drug Name
4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535139]
Structure
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2D MOL

3D MOL
Formula
C17H11BrN2O2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)Br)CN4C=CN=C4
InChI
1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2
InChIKey
FSWPWGQUEZXZFV-UHFFFAOYSA-N
PubChem Compound ID
10473365
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [535139]
17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [535139]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
Prolactin signaling pathway
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Endogenous sterolsR-HSA-193048:Androgen biosynthesis
Glucocorticoid biosynthesis
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 compoundsWP702:Metapathway biotransformation
Steroid Biosynthesis
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compounds
References
Ref 535139A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80.
Ref 535139A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80.

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