Details of the Drug

General Information of Drug (ID: DMSN814)

Drug Name
3,4,4',5-tetramethoxy-(Z)-stilbene
Synonyms
CHEMBL47426; 134029-49-5; 1-Mtpe; NSC638499; Deoxycombretastatin A4; AC1NTUK5; ZINC5900; SCHEMBL3834841; (Z)-1,2,3-Trimethoxy-5-(2-(4-methoxyphenyl)ethenyl)benzene; cis-3,4,5,4'-tetramethoxystilbene; BDBM50006677; 10Z-3,4,4',5-tetramethoxystilbene; AKOS027382909; NSC-638499; 10Z-3,4,4'',5-tetramethoxystilbene; 3,4,4'',5-tetramethoxy-(Z)-stilbene; (Z) 3,4',5-TETRAMETHOXYSTILBENE; 5-(4-methoxystyryl)-1,2,3-trimethoxybenzene; (Z)-1,2,3-Trimethoxy-5-(4-methoxystyryl)benzene
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) 300.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H20O4
IUPAC Name
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
Canonical SMILES
COC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
InChIKey
GGFQQRXTLIJXNY-WAYWQWQTSA-N
Cross-matching ID
PubChem CID
5388779
ChEBI ID
CHEMBL47426
CAS Number
134029-49-5
TTD ID
D0LH3S
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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]
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References

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