Details of the Drug

General Information of Drug (ID: DM28GQS)

Drug Name
2,5-Bis-(3-cyclopentyloxy-4-methoxy-phenyl)-furan
Synonyms CHEMBL111506; 2,5-Bis-(3-cyclopentyloxy-4-methoxy-phenyl)-furan
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): 1 Molecular Weight (mw) 448.5
Logarithm of the Partition Coefficient (xlogp) 6.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C28H32O5
IUPAC Name
2,5-bis(3-cyclopentyloxy-4-methoxyphenyl)furan
Canonical SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C3=CC(=C(C=C3)OC)OC4CCCC4)OC5CCCC5
InChI
InChI=1S/C28H32O5/c1-29-25-13-11-19(17-27(25)31-21-7-3-4-8-21)23-15-16-24(33-23)20-12-14-26(30-2)28(18-20)32-22-9-5-6-10-22/h11-18,21-22H,3-10H2,1-2H3
InChIKey
VJENKFARFHFXFG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44339586
TTD ID
D0N2KP

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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