Drug Information

Drug General Information
Drug ID
D03PIB
Former ID
DNC002721
Drug Name
Alrestatin
Drug Type
Small molecular drug
Indication Discovery agent Discontinued in Phase 2 [545678]
Formula
C14H9NO4
Canonical SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O
InChI
1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
InChIKey
GCUCIFQCGJIRNT-UHFFFAOYSA-N
CAS Number
CAS 51411-04-2
PubChem Compound ID
2120
PubChem Substance ID
147800, 224765, 3226047, 3897132, 7403856, 7885850, 8151438, 11113527, 11121757, 11122237, 11130822, 11132748, 11133320, 11341937, 11362120, 11362898, 11364343, 11365460, 11366905, 11368022, 11369467, 11370987, 11370988, 11372959, 11373497, 11373623, 11376184, 11377629, 11487522, 11491695, 11491904, 11495263, 14995871, 26703033, 26751737, 29221300, 46508635, 46516655, 47589173, 47810955, 48185170, 48185171, 49883441, 50104434, 50104435, 50930601, 53788020, 57321153, 58031693, 81093285
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [551393]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)
KEGG Pathway Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathways
NetPath Pathway IL1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose Metabolism
WikiPathways Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin D
References
Ref 545678Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004143)
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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