Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0FJ7G
|
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| Former ID |
DNC002726
|
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| Drug Name |
IDD594
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C16H12BrF2NO3S
|
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| Canonical SMILES |
C1=CC(=C(C=C1F)OCC(=O)O)C(=S)NCC2=C(C=C(C=C2)Br)F
|
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| 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)
|
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| InChIKey |
JCZUIWYXULSXSW-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID |
7888624, 9656036, 14716864, 14716867, 16736223, 24698192, 24698197, 24698202, 26711967, 35668563, 46516554, 46525587, 56435385, 57304753, 57304756, 57304759, 57304762, 57356963, 77902082, 99444555, 103162237, 103544914, 112947474, 124807146, 124807150, 137255209, 142122323, 160969139, 231295187, 243460322
|
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| Target and Pathway | |||||
| Target(s) | Aldose reductase | Target Info | Inhibitor | [1] | |
| 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 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | ||||
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