Details of the Drug

General Information of Drug (ID: DM9C0YZ)

Drug Name
2,3-Dimethoxy-4'-amino-trans-stilbene
Synonyms CHEMBL1173700; BDBM50322050
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) 3.5
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-(2,3-dimethoxyphenyl)ethenyl]aniline
Canonical SMILES
COC1=CC=CC(=C1OC)/C=C/C2=CC=C(C=C2)N
InChI
InChI=1S/C16H17NO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,17H2,1-2H3/b9-6+
InChIKey
WSPBGPLITZFWJL-RMKNXTFCSA-N
Cross-matching ID
PubChem CID
49799640
TTD ID
D0F4MF

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.