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]
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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
CAS Number: 134029-49-5
TTD ID: D0LH3S

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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Molecular Interaction Atlas (MIA)

MIA Detail

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.