Drug Information

Drug General Information
Drug ID
D0ST5U
Former ID
DNC013783
Drug Name
Galanthamine derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529473]
Structure
Download
2D MOL

3D MOL
Formula
C32H37N2O5+
Canonical SMILES
COC1=C2C3=C(C=C1)C=[N+](CCC34C=CC(CC4O2)O)CCCCCCCCN5C(=<br />O)C6=CC=CC=C6C5=O
InChI
1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1
InChIKey
VLGAHTYYCHWLNI-BHRZLAGCSA-N
PubChem Compound ID
5288394
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529473]
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 529473J Med Chem. 2008 Jun 12;51(11):3154-70. Epub 2008 May 15.Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.
Ref 529473J Med Chem. 2008 Jun 12;51(11):3154-70. Epub 2008 May 15.Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.

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