Drug General Information
Drug ID
D0FJ7G
Former ID
DNC002726
Drug Name
IDD594
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL

Formula
C16H12BrF2NO3S
Canonical SMILES
C1=CC(=C(C=C1F)OCC(=O)O)C(=S)NCC2=C(C=C(C=C2)Br)F
InChI
1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
InChIKey
JCZUIWYXULSXSW-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [551374]
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 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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