Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05QMJ
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| Former ID |
DNC014733
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| Drug Name |
RWJ-56423
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| Drug Type |
Small molecular drug
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| Indication | Asthma [ICD10:J45] | Discontinued in Phase 1 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H26N6O4S
|
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| Canonical SMILES |
CC(=O)N1CC(CC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2<br />)O
|
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| InChI |
1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
|
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| InChIKey |
VXDAVYUFYPFGDX-SNPRPXQTSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Trypsin | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Pancreatic secretion | |||||
| Protein digestion and absorption | |||||
| Influenza A | |||||
| Reactome | Activation of Matrix Metalloproteinases | ||||
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |||||
| WikiPathways | Activation of Matrix Metalloproteinases | ||||
| References | |||||
| REF 1 | Potent, small-molecule inhibitors of human mast cell tryptase. Antiasthmatic action of a dipeptide-based transition-state analogue containing a benzothiazole ketone. J Med Chem. 2003 Aug 28;46(18):3865-76. | ||||
| REF 2 | J Med Chem. 2004 Feb 12;47(4):769-87.Inhibitors of serine proteases as potential therapeutic agents: the road from thrombin to tryptase to cathepsin G. | ||||
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