Details of the Drug

General Information of Drug (ID: DMYHC3S)

Drug Name
3,4',5-trimethoxy-(Z)-stilbene
Synonyms
(Z)-3,5,4'-TRIMETHOXYSTILBENE; cis-trismethoxy Resveratrol; 94608-23-8; CHEMBL311636; (Z)-3,4',5-trimethoxystilbene; cis-Trismethoxyresveratrol; cis-Stilbene Derivative, 5a; SCHEMBL1006207; ZINC9252; 8Z-3,4',5-trimethoxystilbene; BDBM23940; MolPort-009-018-268; GDHNBPHYVRHYCC-PLNGDYQASA-N; (Z)-3,5,40-Trimethoxystilbene; HMS3648G16; 1101AH; AKOS025401671; AC-24237; DB-079973; 608T238; SR-01000946368; SR-01000946368-1; I14-7426; 1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]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) 270.32
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H18O3
IUPAC Name
1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
Canonical SMILES
COC1=CC=C(C=C1)/C=C\\C2=CC(=CC(=C2)OC)OC
InChI
InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
InChIKey
GDHNBPHYVRHYCC-PLNGDYQASA-N
Cross-matching ID
PubChem CID
9878556
ChEBI ID
CHEMBL311636
CAS Number
94608-23-8
TTD ID
D03NTD
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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.