Details of the Drug

General Information of Drug (ID: DMLI5UT)

Drug Name
2,3,5-Trimethoxy-4'-amino-trans-stilbene
Synonyms CHEMBL1170663; BDBM50322054
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
4-[(E)-2-(2,3,5-trimethoxyphenyl)ethenyl]aniline
Canonical SMILES
COC1=CC(=C(C(=C1)OC)OC)/C=C/C2=CC=C(C=C2)N
InChI
InChI=1S/C17H19NO3/c1-19-15-10-13(17(21-3)16(11-15)20-2)7-4-12-5-8-14(18)9-6-12/h4-11H,18H2,1-3H3/b7-4+
InChIKey
SRZFJBWGNUYOJJ-QPJJXVBHSA-N
Cross-matching ID
PubChem CID
49799657
TTD ID
D0G2JV

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.