Drug Details

General Information of the Drug (ID: DR9491)
Name
Atamestane
Synonyms
ATAMESTANE; 96301-34-7; 1-Methylandrosta-1,4-diene-3,17-dione; UNII-62GA3K28B6; SH-489; 62GA3K28B6; Atamestane [INN]; Atamestanum [Latin]; Atamestano [Spanish]; Atamestano; Atamestanum; (8R,9S,10S,13S,14S)-1,10,13-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione; CCRIS 6528; Androsta-1,4-diene-3,17-dione, 1-methyl-; Biomed-777; 1-methyl-1,4-androstadiene-3,17-dione; SCHEMBL59128; CHEMBL2105987; ZINC4214890; DB12194; 1-Methyl-androsta-1,4-diene-3,17-dione; 1-Methyl-androsta-1,4 -diene-3,17-dione; Q4812727
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Molecular Type
Small molecule
Disease Breast cancer [ICD-11: 2C60] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C20H26O2
PubChem CID
57050
Canonical SMILES
CC1=CC(=O)C=C2C1(C3CCC4(C(C3CC2)CCC4=O)C)C
InChI
1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1
InChIKey
PEPMWUSGRKINHX-TXTPUJOMSA-N
CAS Number
CAS 96301-34-7
DrugBank ID
DB12194
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Toremifene      Homo sapiens     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model MCF-7 CVCL_0031 Invasive breast carcinoma Homo sapiens
                    Experimental
                    Result(s)		 Combination of toremifene plus atamestane was as effective as toremifene or tamoxifen alone but may not provide any additional benefit over toremifene alone or tamoxifen alone.
Target and Pathway
Target(s) Osteoclast differentiation factor (ODF)  Molecule Info  [3]
KEGG Pathway Cytokine-cytokine receptor interaction Click to Show/Hide
2 NF-kappa B signaling pathway
3 Osteoclast differentiation
4 Prolactin signaling pathway
5 Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway Click to Show/Hide
2 TWEAK Signaling Pathway
Pathway Interaction Database IL6-mediated signaling events Click to Show/Hide
Reactome TNFR2 non-canonical NF-kB pathway Click to Show/Hide
2 TNFs bind their physiological receptors
3 TNF receptor superfamily (TNFSF) members mediating non-canonical NF-kB pathway
WikiPathways Osteoblast Signaling Click to Show/Hide
2 Vitamin D Receptor Pathway
3 Differentiation Pathway
4 RANKL/RANK Signaling Pathway
5 Osteoclast Signaling
References
Reference 1 Antitumor effect of a specific aromatase inhibitor, 1-methyl-androsta-1,4-diene-3,17-dione (atamestane), in female rats bearing DMBA-induced mammary tumors. J Steroid Biochem. 1989;34(1-6):435-7.
Reference 2 Toremifene-atamestane; alone or in combination: predictions from the preclinical intratumoral aromatase model. J Steroid Biochem Mol Biol. 2008 Jan;108(1-2):1-7.
Reference 3 Trolox prevents osteoclastogenesis by suppressing RANKL expression and signaling. J Biol Chem. 2009 May 15;284(20):13725-13734.
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