Drug General Information
Drug ID
D0K8BT
Former ID
DNC008954
Drug Name
Isosorbide-2-(methylcarbamate)-5-benzoate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529716]
Structure
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2D MOL

3D MOL

Formula
C15H17NO6
Canonical SMILES
CNC(=O)OC1COC2C1OCC2OC(=O)C3=CC=CC=C3
InChI
1S/C15H17NO6/c1-16-15(18)22-11-8-20-12-10(7-19-13(11)12)21-14(17)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3,(H,16,18)/t10-,11+,12-,13-/m1/s1
InChIKey
XVQSZSYQBPAKTI-YVECIDJPSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [529716]
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 pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Irinotecan PathwayWP727: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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