Details of the Drug

General Information of Drug (ID: DMVDZCE)

Drug Name
3,4-Dimethoxy-4'-amino-trans-stilbene
Synonyms CHEMBL1172937; BDBM50322051
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) 255.31
Logarithm of the Partition Coefficient (xlogp) 3.1
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-(3,4-dimethoxyphenyl)ethenyl]aniline
Canonical SMILES
COC1=C(C=C(C=C1)/C=C/C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C16H17NO2/c1-18-15-10-7-13(11-16(15)19-2)4-3-12-5-8-14(17)9-6-12/h3-11H,17H2,1-2H3/b4-3+
InChIKey
JZZHXIPQAWDZPC-ONEGZZNKSA-N
Cross-matching ID
PubChem CID
49799648
TTD ID
D0T0CK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
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.