Details of the Drug

General Information of Drug (ID: DMBKWUZ)

Drug Name

Tamoxifen isopropyl bromide

Synonyms

Tamoxifen isopropyl bromide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

494.5

Topological Polar Surface Area

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C29H36BrNO
IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-propan-2-ylazanium;bromide
Canonical SMILES: CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)C(C)C)/C3=CC=CC=C3.[Br-]
InChI: 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

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha. Bioorg Med Chem. 2010 Aug 1;18(15):5593-601.
2	Modulators of vascular sex hormone receptors and their effects in estrogen-deficiency states associated with menopause. Recent Pat Cardiovasc Drug Discov. 2008 Nov;3(3):165-86.
3	Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
6	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. (Target id: 620).
7	Clinical pipeline report, company report or official report of Shionogi (2011).
8	Effect of selective estrogen receptor modulators on cell proliferation and estrogen receptor activities in normal human prostate stromal and epithe... Prostate Cancer Prostatic Dis. 2009;12(4):375-81.