Details of the Drug

General Information of Drug (ID: DM04ZUW)

Drug Name
Ponalrestat
Synonyms
PONALRESTAT; statil; 72702-95-5; Ponalrestatum [Latin]; UNII-2CV0A5G64E; ICI-128436; ICI 128,436; CHEMBL7679; C17H12BrFN2O3; 2CV0A5G64E; 2-(3-(4-bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid; NCGC00024824-01; 3-(4-Bromo-2-fluorobenzyl)-3,4-dihydro-4-oxo-1-phthalazineacetic acid; 1-Phthalazineaceticacid, 3-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-4-oxo-; Ponalrestatum; 1-Phthalazineacetic acid, 3-((4-bromo-2-fluorophenyl)methyl)-3,4-dihydro-4-oxo-; Prodiax; Ponalrestat [USAN:BAN:INN]; ISIS-5GLT2rx
Indication
Disease Entry ICD 11 Status REF
Gout FA25 Discontinued in Phase 3 [1]
Diabetic complication 5A2Y Investigative [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 391.2
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H12BrFN2O3
IUPAC Name
2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
Canonical SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O
InChI
InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
InChIKey
LKBFFDOJUKLQNY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5278
ChEBI ID
CHEMBL7679
CAS Number
72702-95-5
TTD ID
D0U9TM
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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 [3]
Sodium/glucose cotransporter 2 (SLC5A4) TTN7Y4P SC5A4_HUMAN Blocker [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Gout
ICD Disease Classification FA25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Sodium/glucose cotransporter 2 (SLC5A4) DTT SLC5A4 3.26E-01 -0.09 -0.37
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 800000017)
2 Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2009).
3 Ponalrestat, an aldose reductase inhibitor, inhibits cachexia syndrome induced by colon26 adenocarcinoma in mice. Anticancer Res. 1999 Sep-Oct;19(5B):4105-11.