Details of the Drug

General Information of Drug (ID: DMCA7XU)

Drug Name

3,4,5-Trimethoxy-3'-amino-trans-stilbene

Synonyms

CHEMBL1173065; SCHEMBL17236642; BDBM50322052

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 (mw)

285.34

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H19NO3
IUPAC Name: 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC(=CC=C2)N
InChI: InChI=1S/C17H19NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)8-7-12-5-4-6-14(18)9-12/h4-11H,18H2,1-3H3/b8-7+
InChIKey: KHIQMXWOBUJQMV-BQYQJAHWSA-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.