Drug General Information
Drug ID
D03EPB
Former ID
DNC012823
Drug Name
BIS(18)-HUPERZINE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527419]
Structure
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2D MOL

3D MOL

Formula
C50H72N6O4
Canonical SMILES
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CCN(C)CCCCCCC<br />CCCN(C)CCC(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
InChI
1S/C50H72N6O4/c1-35-29-37-31-43-41(17-19-45(57)51-43)49(33-35)39(37)15-13-25-55(49)47(59)21-27-53(3)23-11-9-7-5-6-8-10-12-24-54(4)28-22-48(60)56-26-14-16-40-38-30-36(2)34-50(40,56)42-18-20-46(58)52-44(42)32-38/h17-20,29-30,37-40H,5-16,21-28,31-34H2,1-4H3,(H,51,57)(H,52,58)/t37?,38?,39-,40-,49-,50-/m1/s1
InChIKey
AATUHPZQANSFHE-NKUZXIPXSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [527419]
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 527419J Med Chem. 2005 Feb 10;48(3):655-7.Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors.
Ref 527419J Med Chem. 2005 Feb 10;48(3):655-7.Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors.

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