Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0HG5M
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| Former ID |
DIB000974
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| Drug Name |
Apratastat
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| Synonyms |
TMI-005; TMI-05; UNII-C6BZ5263BJ; 287405-51-0; C6BZ5263BJ; CHEMBL206815; TMI 005; Apratastat [USAN:INN]; Apratastat (USAN/INN); MLS006010301; SCHEMBL2834310; GTPL6482; TMI005; Apratastat, > MolPort-021-805-014; BCPP000041; ZINC28571311; BDBM50181008; DB13020; API0013699; compound 5h [PMID: 16426848]; SMR004701369; 4CA-0170; D08859; 3-Thiomorpholinecarboxamide,N-hydroxy-4-[[4-[(4-hydroxy-2-butyn-1-yl)oxy]phenyl]sulfonyl]-2,2-dimethyl-,(3S)-; TMI-1; Dual TACE/MMP-13 inhibitors (inflammation), Wyeth; Dual TACE/MMP-13 inhibitors (rheumatoid arthritis), Wyeth; Dual TACE/MMP-13 inhibitors, Wyeth-Ayerst
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD-11: FA20] | Phase 2 | [1], [2] | |
| Company |
Wyeth Research
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| Structure |
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Download2D MOL |
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| Formula |
C17H22N2O6S2
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| Canonical SMILES |
CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C
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| InChI |
1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
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| InChIKey |
MAVDNGWEBZTACC-HNNXBMFYSA-N
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| CAS Number |
CAS 287405-51-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6482). | |||
| REF 2 | ClinicalTrials.gov (NCT00095342) Study Evaluating TMI-005 in Active Rheumatoid Arthritis. U.S. National Institutes of Health. | |||
| REF 3 | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9. | |||
| REF 4 | Drug insight: tumor necrosis factor-converting enzyme as a pharmaceutical target for rheumatoid arthritis. Nat Clin Pract Rheumatol. 2008 Jun;4(6):300-9. | |||
| REF 5 | Drug evaluation: apratastat, a novel TACE/MMP inhibitor for rheumatoid arthritis. Curr Opin Investig Drugs. 2006 Nov;7(11):1014-9. | |||
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