Details of the Drug

General Information of Drug (ID: DMH6RDL)

• Drug Name: 2,5-Bis-(3,4-dimethoxy-phenyl)-furan
• Synonyms: CHEMBL110937; 2,5-Bis-(3,4-dimethoxy-phenyl)-furan

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 340.4
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H20O5
  IUPAC Name: 2,5-bis(3,4-dimethoxyphenyl)furan
  Canonical SMILES: COC1=C(C=C(C=C1)C2=CC=C(O2)C3=CC(=C(C=C3)OC)OC)OC
  InChI: InChI=1S/C20H20O5/c1-21-17-7-5-13(11-19(17)23-3)15-9-10-16(25-15)14-6-8-18(22-2)20(12-14)24-4/h5-12H,1-4H3
  InChIKey: ZESHRVUYCRWWFA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16038022
  TTD ID: D01CAY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 4A (PDE4A)	TTZ97H5	PDE4A_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 4A (PDE4A)	DTT	PDE4A	9.26E-01	-3.01E-03	-0.01

References

• [1] Substituted furans as inhibitors of the PDE4 enzyme. Bioorg Med Chem Lett. 1999 Feb 8;9(3):323-6.