TTD | Drug: D0P5CV

Drug General Information
Drug ID	D0P5CV
Former ID	DNC012822
Drug Name	BIS(16)-HUPERZINE B
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527419]
Structure		Download 2D MOL 3D MOL
Formula	C48H68N6O4
Canonical SMILES	CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CCN(C)CCCCCCC<br />CN(C)CCC(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
InChI	1S/C48H68N6O4/c1-33-27-35-29-41-39(15-17-43(55)49-41)47(31-33)37(35)13-11-23-53(47)45(57)19-25-51(3)21-9-7-5-6-8-10-22-52(4)26-20-46(58)54-24-12-14-38-36-28-34(2)32-48(38,54)40-16-18-44(56)50-42(40)30-36/h15-18,27-28,35-38H,5-14,19-26,29-32H2,1-4H3,(H,49,55)(H,50,56)/t35?,36?,37-,38-,47-,48-/m1/s1
InChIKey	XCDQISLHKSKFLH-AZGNAIHRSA-N
PubChem Compound ID	23645107
Target and Pathway
Target(s)	Acetylcholinesterase	Target Info	Inhibitor	[527419]
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 527419	J Med Chem. 2005 Feb 10;48(3):655-7.Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors.
Ref 527419	J Med Chem. 2005 Feb 10;48(3):655-7.Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors.

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Drug Information