Drug General Information
Drug ID
D0Y5KA
Former ID
DNC003565
Drug Name
HEPTYPHYSOSTIGMINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528106]
Structure
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2D MOL

3D MOL

Formula
C21H33N3O2
Canonical SMILES
CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C3C2(CCN3C)C)C
InChI
1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
InChIKey
RRGMXBQMCUKRLH-CTNGQTDRSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [528106]
Acetylcholinesterase Target Info Inhibitor [531080]
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 528106J Med Chem. 2006 Apr 6;49(7):2174-85.Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.
Ref 528106J Med Chem. 2006 Apr 6;49(7):2174-85.Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.
Ref 531080J Med Chem. 2010 Sep 9;53(17):6490-505.Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology.

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