Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J8FS
|
|||
| Former ID |
DNC010985
|
|||
| Drug Name |
3-Nitro-4'-nitro-trans-stilbene
|
|||
| Synonyms |
(E)-3,4'-Dinitrostilbene; 3,4'-Dinitrostilbene; CHEMBL1173131; (E)-1-Nitro-3-(2-(4-nitrophenyl)ethenyl)benzene; 51042-51-4; Benzene, 1-nitro-3-(2-(4-nitrophenyl)ethenyl)-, (E)-; Stilbene, 3,4'-dinitro-; CCRIS 8545; AC1NTBW4; Benzene, 1-nitro-3-(2-(4-nitrophenyl)ethenyl)-; WMOGPQFWQAXCTI-SNAWJCMRSA-N; 3-Nitro-4''-nitro-trans-stilbene; ZINC6092536; BDBM50322057; 27892-99-5; LS-30911; 1-Nitro-3-[2-[4-nitrophenyl]ethenyl]benzene; 1-Nitro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene; 1-Nitro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene #
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C14H10N2O4
|
|||
| Canonical SMILES |
C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=CC=C(C=C2)[N+](=O)[O-]
|
|||
| InChI |
1S/C14H10N2O4/c17-15(18)13-8-6-11(7-9-13)4-5-12-2-1-3-14(10-12)16(19)20/h1-10H/b5-4+
|
|||
| InChIKey |
WMOGPQFWQAXCTI-SNAWJCMRSA-N
|
|||
| CAS Number |
CAS 27892-99-5
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.