Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0FJ7G
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| Former ID |
DNC002726
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| Drug Name |
IDD594
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| Synonyms |
IDD594; CHEMBL395347; {2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid; [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID; AC1N9ZWX; SCHEMBL5467958; BDBM16313; IDD 594; IDD-594; ZINC13137482; AKOS032949406; DB08084; 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamothioyl]-5-fluorophenoxy]acetic acid; 2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioyl}-5-fluorophenoxy)acetic acid; 2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioyl}-5-fluorophenoxyacetic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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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 | Top | |||
|---|---|---|---|---|
| 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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