Details of the Drug

General Information of Drug (ID: DMMZ643)

Drug Name

2,4-Dimethoxy-4'-amino-trans-stilbene

Synonyms

CHEMBL1170662; BDBM50322047

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 (mw)

255.31

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H17NO2
IUPAC Name: 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]aniline
Canonical SMILES: COC1=CC(=C(C=C1)/C=C/C2=CC=C(C=C2)N)OC
InChI: InChI=1S/C16H17NO2/c1-18-15-10-7-13(16(11-15)19-2)6-3-12-4-8-14(17)9-5-12/h3-11H,17H2,1-2H3/b6-3+
InChIKey: CPBHGSOSBBDXHN-ZZXKWVIFSA-N

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	Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.