Drug Information

Drug General Information
Drug ID
D0VI6N
Former ID
DNC013824
Drug Name
Isosorbide-2-benzylcarbamate-5-tosylate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529716]
Structure
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2D MOL

3D MOL
Formula
C22H23NO8S
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(=O)OC2COC3C2OCC3OC(=O)NCC4=CC=<br />CC=C4
InChI
1S/C22H23NO8S/c1-14-7-9-16(10-8-14)32(26,27)22(25)31-18-13-29-19-17(12-28-20(18)19)30-21(24)23-11-15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3,(H,23,24)/t17-,18+,19+,20+/m0/s1
InChIKey
RGANIXDJVGCBKP-MTQWCTHYSA-N
PubChem Compound ID
44568995
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529716]
KEGG Pathway Glycerophospholipid metabolism
Cholinergic synapse
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer Pathway
References
Ref 529716J Med Chem. 2008 Oct 23;51(20):6400-9. Epub 2008 Sep 26.Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors.
Ref 529716J Med Chem. 2008 Oct 23;51(20):6400-9. Epub 2008 Sep 26.Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors.

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