Drug Information

Drug General Information
Drug ID
D05QMJ
Former ID
DNC014733
Drug Name
RWJ-56423
Drug Type
Small molecular drug
Indication Asthma [ICD10:J45] Discontinued in Phase 1 [526697]
Formula
C20H26N6O4S
Canonical SMILES
CC(=O)N1CC(CC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2<br />)O
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
InChIKey
VXDAVYUFYPFGDX-SNPRPXQTSA-N
PubChem Compound ID
5287596
Target and Pathway
Target(s) Trypsin Target Info Inhibitor [526956]
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 526697Potent, 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 526956J 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.