Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0O6ZM
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| Former ID |
DNC010988
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| Drug Name |
4-(3,4-Dimethoxyphenethyl)aniline
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| Synonyms |
4-(3,4-Dimethoxyphenethyl)aniline; CHEMBL1171680; SCHEMBL6481605; MEJNYOQOZUXCOG-UHFFFAOYSA-N; ZINC34258590; BDBM50322060; 4-[2-[3,4-dimethoxyphenyl)ethyl]aniline; 4[2-(3,4-dimethoxyphenyl)ethyl]benzenamine; 4-[2-(3,4-dimethoxyphenyl)ethyl]benzenamine; 4-[2-(3,4-dimethoxyphenyl)ethyl]phenylamine; 4-[2-(3,4-Dimethoxy-phenyl)ethyl]-phenylamine; 4-[2-(3,4-dimethoxy-phenyl)-ethyl]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 |
C16H19NO2
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| Canonical SMILES |
COC1=C(C=C(C=C1)CCC2=CC=C(C=C2)N)OC
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| InChI |
1S/C16H19NO2/c1-18-15-10-7-13(11-16(15)19-2)4-3-12-5-8-14(17)9-6-12/h5-11H,3-4,17H2,1-2H3
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| InChIKey |
MEJNYOQOZUXCOG-UHFFFAOYSA-N
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| 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. | |||
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