| Drug General Information |
| Drug ID |
D07CTI
|
| Former ID |
DNC004400
|
| Drug Name |
1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C17H11N3O4
|
| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)[N+](=O)[O-])CN4C=CN<br />=C4
|
| InChI |
1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-13(20(22)23)6-5-11(15(16)17)9-19-8-7-18-10-19/h1-8,10H,9H2
|
| InChIKey |
VKGUMSNSPMTJMS-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 19 |
Target Info |
Inhibitor |
[1]
|
|---|
| 17 alpha-hydroxylase-C17, 20-lyase |
Target Info |
Inhibitor |
[1]
|
|
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 1 | A 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. |
|---|
