Drug General Information
Drug ID
D08GWS
Former ID
DNC011091
Drug Name
Tamoxifen isopropyl bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531028]
Structure
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2D MOL

3D MOL

Formula
C29H36BrNO
Canonical SMILES
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[N+](C)(C)C(C)C)C3=C<br />C=CC=C3.[Br-]
InChI
1S/C29H36NO.BrH/c1-6-28(24-13-9-7-10-14-24)29(25-15-11-8-12-16-25)26-17-19-27(20-18-26)31-22-21-30(4,5)23(2)3;/h7-20,23H,6,21-22H2,1-5H3;1H/q+1;/p-1/b29-28-;
InChIKey
VSVUDCODHCQATR-FJBFXRHMSA-M
PubChem Compound ID
Target and Pathway
Target(s) Estrogen receptor Target Info Inhibitor [531028]
KEGG Pathway Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Endocrine and other factor-regulated calcium reabsorption
Proteoglycans in cancer
NetPath Pathway FSH Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling Pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class II
Plasma membrane estrogen receptor signaling
LKB1 signaling events
Regulation of Telomerase
ATF-2 transcription factor network
AP-1 transcription factor network
FOXM1 transcription factor network
Validated nuclear estrogen receptor alpha network
Signaling mediated by p38-alpha and p38-beta
FOXA1 transcription factor network
Reactome Nuclear signaling by ERBB4
Nuclear Receptor transcription pathway
WikiPathways Estrogen signaling pathway
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Signaling by ERBB4
JAK/STAT
Integrated Pancreatic Cancer Pathway
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Integrated Breast Cancer Pathway
Nuclear Receptors
References
Ref 531028Bioorg Med Chem. 2010 Aug 1;18(15):5593-601. Epub 2010 Jun 20.Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha.
Ref 531028Bioorg Med Chem. 2010 Aug 1;18(15):5593-601. Epub 2010 Jun 20.Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha.

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