Details of the Drug

General Information of Drug (ID: DM76BXY)

Drug Name

Tamoxifen ethyl bromide

Synonyms

Tamoxifen ethyl bromide

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

480.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C28H34BrNO
IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-ethyl-dimethylazanium;bromide
Canonical SMILES: CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)CC)/C3=CC=CC=C3.[Br-]
InChI: InChI=1S/C28H34NO.BrH/c1-5-27(23-13-9-7-10-14-23)28(24-15-11-8-12-16-24)25-17-19-26(20-18-25)30-22-21-29(3,4)6-2;/h7-20H,5-6,21-22H2,1-4H3;1H/q+1;/p-1/b28-27-;
InChIKey: BXPXDYCXXNBOQW-LXCLTORNSA-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.