Drug Information

Drug General Information
Drug ID
D04ZJK
Former ID
DNC012824
Drug Name
BIS(20)-HUPERZINE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527419]
Structure
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2D MOL

3D MOL
Formula
C52H76N6O4
Canonical SMILES
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CCN(C)CCCCCCC<br />CCCCCN(C)CCC(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
InChI
1S/C52H76N6O4/c1-37-31-39-33-45-43(19-21-47(59)53-45)51(35-37)41(39)17-15-27-57(51)49(61)23-29-55(3)25-13-11-9-7-5-6-8-10-12-14-26-56(4)30-24-50(62)58-28-16-18-42-40-32-38(2)36-52(42,58)44-20-22-48(60)54-46(44)34-40/h19-22,31-32,39-42H,5-18,23-30,33-36H2,1-4H3,(H,53,59)(H,54,60)/t39?,40?,41-,42-,51-,52-/m1/s1
InChIKey
TUYZMCKAYFZSRO-JDUDQBENSA-N
PubChem Compound ID
23645348
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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