Details of the Drug

General Information of Drug (ID: DMJS9YB)

Drug Name
FR-62765
Synonyms
FR-62765; 105346-34-7; FR 62765; ODHJHYPKZNTPCS-UHFFFAOYSA-N; AC1L2TN6; SCHEMBL5953715; Ethyl 2,5-dihydro-4-methoxy-5-oxo-3-phenyl-2-furanpropanoate; ethyl 3-(4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoate; ethyl 3-(4-methoxy-5-oxo-3-phenyl-2,5-dihydro-2-furyl)propionate; 2-Furanpropanoic acid, 2,5-dihydro-4-methoxy-5-oxo-3-phenyl-, ethyl ester
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.31
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H18O5
IUPAC Name
ethyl 3-(4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoate
Canonical SMILES
CCOC(=O)CCC1C(=C(C(=O)O1)OC)C2=CC=CC=C2
InChI
InChI=1S/C16H18O5/c1-3-20-13(17)10-9-12-14(11-7-5-4-6-8-11)15(19-2)16(18)21-12/h4-8,12H,3,9-10H2,1-2H3
InChIKey
ODHJHYPKZNTPCS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
128354
CAS Number
105346-34-7
TTD ID
D0RZ0N

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aldose reductase (AKR1B1) TTFBNVI ALDR_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic complication
ICD Disease Classification 5A2Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aldose reductase (AKR1B1) DTT AKR1B1 1.08E-20 0.94 1.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Studies on WF-3681, a novel aldose reductase inhibitor. IV. Effect of FR-62765, a derivative of WF-3681, on the diabetic neuropathy in rats. J Antibiot (Tokyo). 1991 Apr;44(4):441-4.