Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07JEY
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| Former ID |
DNC002724
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| Drug Name |
IDD552
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| Synonyms |
IDD552; CHEMBL399598; [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID; ID5; AC1L9M77; SCHEMBL5462044; ZCAGEXZTORJQDZ-UHFFFAOYSA-N; BDBM50222611; DB02834; {5-fluoro-2[(4,5,7-trifluoro-benzothiazol-2-ylmethyl)carbamoyl]-phenoxy}-acetic acid; 5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxyacetic acid; 2-[5-fluoro-2-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methylcarbamoyl]phenoxy]acetic 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 |
C17H10F4N2O4S
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| Canonical SMILES |
C1=CC(=C(C=C1F)OCC(=O)O)C(=O)NCC2=NC3=C(C(=CC(=C3S2)F)F)F
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| InChI |
1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)
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| InChIKey |
ZCAGEXZTORJQDZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| 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 | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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