Details of the Drug

General Information of Drug (ID: DMPZ4M8)

Drug Name
3-bromo-4,4',5-trimethoxy-(Z)-stilbene
Synonyms SCHEMBL4219422; CHEMBL424885
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) 349.2
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H17BrO3
IUPAC Name
1-bromo-2,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
Canonical SMILES
COC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)Br)OC)OC
InChI
InChI=1S/C17H17BrO3/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(18)17(21-3)16(11-13)20-2/h4-11H,1-3H3/b5-4-
InChIKey
HORVHXITWDPZBG-PLNGDYQASA-N
Cross-matching ID
PubChem CID
16090832
TTD ID
D02XKD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Inhibitor [1]
Tubulin beta-2 chain (TUBB2) TTJ2PTI TBB2A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 2-amino and 2'-aminocombretastatin derivatives as potent antimitotic agents. J Med Chem. 2006 Oct 19;49(21):6412-5.