Details of the Drug

General Information of Drug (ID: DMXE1LC)

Drug Name

3-[2-(3,5-Dimethoxy-phenyl)-vinyl]-furan

Synonyms

CHEMBL43396; 3-[2-(3,5-Dimethoxy-phenyl)-vinyl]-furan; SCHEMBL7047273; SCHEMBL7047277; 3-[(E)-3,5-Dimethoxystyryl]furan; ZINC13471767; BDBM50108047; AKOS015967552

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)

230.26

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H14O3
IUPAC Name: 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]furan
Canonical SMILES: COC1=CC(=CC(=C1)/C=C/C2=COC=C2)OC
InChI: InChI=1S/C14H14O3/c1-15-13-7-12(8-14(9-13)16-2)4-3-11-5-6-17-10-11/h3-10H,1-2H3/b4-3+
InChIKey: UUOXVOMLPNADJK-ONEGZZNKSA-N

Cross-matching ID

PubChem CID: 10105252
TTD ID: D06VXW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytochrome P450 1B1 (CYP1B1)	TTI84H7	CP1B1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors. J Med Chem. 2002 Jan 3;45(1):160-4.