Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09MQF
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| Former ID |
DNC010982
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| Drug Name |
3,4,5-Trimethoxy-4'-amino-trans-stilbene
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| Synonyms |
CHEMBL87477; SCHEMBL4263050; MWXBWYJFAGYFKS-SNAWJCMRSA-N; ZINC26575008; BDBM50322046; (E)-4'-Amino-3,4,5-trimethoxystilbene; 3,4,5-Trimethoxy-4''-amino-trans-stilbene; 4-[2-(3,4,5-Trimethoxy-phenyl)-vinyl]-phenylamine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C17H19NO3
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| Canonical SMILES |
COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)N
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| InChI |
1S/C17H19NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,18H2,1-3H3/b5-4+
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| InChIKey |
MWXBWYJFAGYFKS-SNAWJCMRSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| Quinone reductase 2 (NQO2) | 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. | |||
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