Drug Information

Drug General Information
Drug ID
D01LOU
Former ID
DNC004463
Drug Name
4-Imidazol-1-ylmethyl-1-nitro-xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535139]
Structure
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2D MOL

3D MOL
Formula
C17H11N3O4
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)CN4C=CN=C4)[N+](=O)[<br />O-]
InChI
1S/C17H11N3O4/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
JLTNBMDVMUSXHQ-UHFFFAOYSA-N
PubChem Compound ID
2238
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [535139]
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 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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