Drug Information

Drug General Information
Drug ID
D0O0GT
Former ID
DNC014604
Drug Name
CVS-2139
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526306]
Structure
Download
2D MOL

3D MOL
Formula
C20H25FN6O6S
Canonical SMILES
C1=CC=C(C(=C1)CS(=O)(=O)NC2=CC=CN(C2=O)CC(=O)NC(CCCN=C(<br />N)N)C(=O)O)F
InChI
1S/C20H25FN6O6S/c21-14-6-2-1-5-13(14)12-34(32,33)26-15-8-4-10-27(18(15)29)11-17(28)25-16(19(30)31)7-3-9-24-20(22)23/h1-2,4-6,8,10,16,26H,3,7,9,11-12H2,(H,25,28)(H,30,31)(H4,22,23,24)/t16-/m1/s1
InChIKey
OFDAQIKHAJYTBV-MRXNPFEDSA-N
PubChem Compound ID
44272797
Target and Pathway
Target(s) Trypsin Target Info Inhibitor [526306]
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 526306Bioorg Med Chem Lett. 2002 Apr 22;12(8):1203-8.Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates.
Ref 526306Bioorg Med Chem Lett. 2002 Apr 22;12(8):1203-8.Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.