Drug Information

Drug General Information
Drug ID
D0N8EC
Former ID
DNC012817
Drug Name
BIS(8)-HUPERZINE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527419]
Structure
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2D MOL

3D MOL
Formula
C40H52N6O4
Canonical SMILES
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CN(C)CCN(C)CC<br />(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
InChI
1S/C40H52N6O4/c1-25-17-27-19-33-31(9-11-35(47)41-33)39(21-25)29(27)7-5-13-45(39)37(49)23-43(3)15-16-44(4)24-38(50)46-14-6-8-30-28-18-26(2)22-40(30,46)32-10-12-36(48)42-34(32)20-28/h9-12,17-18,27-30H,5-8,13-16,19-24H2,1-4H3,(H,41,47)(H,42,48)/t27?,28?,29-,30-,39-,40-/m1/s1
InChIKey
CTEOPWRYKGOSFE-KUNPEOQISA-N
PubChem Compound ID
23645102
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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