Drug Information

Drug General Information
Drug ID
D0UF9K
Former ID
DNC012818
Drug Name
BIS(9)-HUPERZINE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527419]
Structure
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2D MOL

3D MOL
Formula
C41H54N6O4
Canonical SMILES
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CN(C)CCCN(C)C<br />C(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
InChI
1S/C41H54N6O4/c1-26-18-28-20-34-32(10-12-36(48)42-34)40(22-26)30(28)8-5-16-46(40)38(50)24-44(3)14-7-15-45(4)25-39(51)47-17-6-9-31-29-19-27(2)23-41(31,47)33-11-13-37(49)43-35(33)21-29/h10-13,18-19,28-31H,5-9,14-17,20-25H2,1-4H3,(H,42,48)(H,43,49)/t28?,29?,30-,31-,40-,41-/m1/s1
InChIKey
KTFGBMXGPUIYSS-LMMAWDAISA-N
PubChem Compound ID
23645103
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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