Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0W0BF
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| Former ID |
DAP000627
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| Drug Name |
Anastrozole
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| Synonyms |
Anastrazole; Anastrole; Anastrozol; Arimidex; Asiolex; Astra brand of anastrozole; AstraZeneca brand of anastrozole; Zeneca brand of anastrozole; ZD 1033; ZD1033; Zeneca ZD 1033; Arimidex (TN); Arimidex (Zeneca); Arimidex, Anastrozole; ZD-1033; Anastrozole [USAN:INN:BAN]; Anastrozole (JAN/USAN/INN); Alpha,alpha,alpha',alpha'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; Alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; 1,3-benzenediacetonitrile, a, a,a', a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl); 2,2'-(5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene)bis(2-methylpropionitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile); 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD-11: 2C60-2C65] | Approved | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
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| Company |
AstraZeneca
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| Structure |
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Download2D MOL |
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| Formula |
C17H19N5
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| Canonical SMILES |
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
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| InChI |
1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
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| InChIKey |
YBBLVLTVTVSKRW-UHFFFAOYSA-N
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| CAS Number |
CAS 120511-73-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
10359, 535026, 5128740, 7848023, 7978492, 8151486, 11528617, 12014321, 14751420, 26719808, 26758041, 29221365, 46386543, 46504987, 46510669, 48415567, 49681575, 53007586, 53789173, 56311273, 56313558, 56313576, 57321190, 58106884, 81040864, 87351875, 92308653, 92308946, 92712142, 99436928, 103478231, 104299862, 117672710, 118313740, 124659088, 124757065, 124801312, 125163869, 125311691, 125339200, 126630179, 126657740, 126667645, 129769972, 131296284, 134337917, 135018130, 135698190, 135727309, 136348802
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| ChEBI ID |
CHEBI:2704
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| ADReCS Drug ID | BADD_D00142 | |||
| SuperDrug ATC ID |
L02BG03
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| SuperDrug CAS ID |
cas=120511731
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Blautia hansenii DSM20583
Show/Hide Hierarchy
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Anastrozole can be metabolized by Blautia hansenii DSM20583 (log2FC = -0.381; p = 0.003). | |||
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Studied Microbe: Clostridium sp.
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|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Anastrozole can be metabolized by Clostridium sp. (log2FC = -0.443; p = 0.017). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [4], [5] |
| 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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5137). | |||
| REF 2 | New drugs in development for the treatment of endometriosis. Expert Opin Investig Drugs. 2008 Aug;17(8):1187-202. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 4 | Effective aromatase inhibition by anastrozole in a patient with gonadotropin-independent precocious puberty in McCune-Albright syndrome. J Pediatr Endocrinol Metab. 2002;15 Suppl 3:945-8. | |||
| REF 5 | Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9. | |||
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