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]
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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
CAS Number: 94608-23-8
TTD ID: D03NTD

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.