Details of the Drug

General Information of Drug (ID: DM61TDB)

Drug Name
ARI-809
Synonyms Aldose reductase inhibitors (diabetes); CP-744809; Aldose reductase inhibitors (diabetes), Pfizer
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 324.74
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C13H9ClN2O4S
IUPAC Name
3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]-1H-pyridazin-6-one
Canonical SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NNC(=O)C=C3
InChI
InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
InChIKey
FXFPQPNUMWQRAO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6420118
CAS Number
463976-07-0
DrugBank ID
DB07187
TTD ID
D0M9RE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aldose reductase (AKR1B1) TTFBNVI ALDR_HUMAN Inhibitor [2]
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032059)
2 A selective aldose reductase inhibitor of a new structural class prevents or reverses early retinal abnormalities in experimental diabetic retinopathy. Diabetes. 2006 Oct;55(10):2757-62.