Drug Information
Drug General Information | Top | |||
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Drug ID |
D0T2TW
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Former ID |
DNC002725
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Drug Name |
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
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Synonyms |
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid; 53N; DB07139; 3-[5-(3-nitrophenyl)thiophen-2-yl] propanoic acid
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C13H11NO4S
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Canonical SMILES |
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(S2)CCC(=O)O
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InChI |
1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16)
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InChIKey |
IHKCOKRMJRDWAL-UHFFFAOYSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [1] |
BioCyc | 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 | Top | |||
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REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. |
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