Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04HVL
|
|||
| Former ID |
DNC010989
|
|||
| Drug Name |
4-(3,4,5-Trimethoxyphenethyl)aniline
|
|||
| Synonyms |
CHEMBL86928; 4-(3,4,5-Trimethoxyphenethyl)aniline; 110997-90-5; Benzenamine, 4-[2-(3,4,5-trimethoxyphenyl)ethyl]-; 4-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-phenylamine; 4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline; NSC631359; ACMC-20mdvn; AC1L7PCU; AC1Q56FF; SCHEMBL6483085; CTK0G1952; DTXSID30327095; BPIQFCQFIYIISU-UHFFFAOYSA-N; ZINC1622338; BDBM50322061; 4'-Amino-3,4,5-trimethoxybibenzyl; AKOS030581735; NSC-631359; NCI60_010236; 4-[2-(3,5-Trimethoxyphenyl)Ethyl]Aniline; 4-[2-(3,4,5-trimethoxy-phenyl)ethyl]-phenylamine
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C17H21NO3
|
|||
| Canonical SMILES |
COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)N
|
|||
| InChI |
1S/C17H21NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h6-11H,4-5,18H2,1-3H3
|
|||
| InChIKey |
BPIQFCQFIYIISU-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 110997-90-5
|
|||
| 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.