TTD | Drug: D0L4OW

Drug General Information
Drug ID	D0L4OW
Former ID	DNC011174
Drug Name	GANSTIGMINE
Indication	Discovery agent		Investigative	[529473]
Structure		Download 2D MOL 3D MOL
Canonical SMILES	CCC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N(C4C3(CC[N+]4(C)[O-]<br />)C)C.Cl
InChI	1S/C22H27N3O3.ClH/c1-5-15-8-6-7-9-18(15)23-21(26)28-16-10-11-19-17(14-16)22(2)12-13-25(4,27)20(22)24(19)3;/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26);1H/t20-,22-,25?;/m0./s1
InChIKey	GPQRGFUTRVNTHA-QFPJJMDASA-N
Target and Pathway
Target(s)	Acetylcholinesterase	Target Info	Inhibitor	[529473]
KEGG Pathway	Glycerophospholipid metabolism
KEGG Pathway	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 529473	J 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 529473	J 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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Drug Information