Drug General Information
Drug ID
D01QRR
Former ID
DNC008959
Drug Name
Isosorbide-2-benzylcarbamate-5-cyclopentanoate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529716]
Structure
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2D MOL

3D MOL

Formula
C20H25NO6
Canonical SMILES
C1CCC(C1)C(=O)OC2COC3C2OCC3OC(=O)NCC4=CC=CC=C4
InChI
1S/C20H25NO6/c22-19(14-8-4-5-9-14)26-15-11-24-18-16(12-25-17(15)18)27-20(23)21-10-13-6-2-1-3-7-13/h1-3,6-7,14-18H,4-5,8-12H2,(H,21,23)/t15-,16+,17-,18-/m1/s1
InChIKey
UPLFPBDRBGHRQW-XMTFNYHQSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529716]
Cholinesterase 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 Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer PathwayWP229:Irinotecan 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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