Drug Information

Drug General Information
Drug ID
D06EJS
Former ID
DNC012819
Drug Name
BIS(12)-HUPERZINE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527419]
Structure
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2D MOL

3D MOL
Formula
C44H60N6O4
Canonical SMILES
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CN(C)CCCCCCN(<br />C)CC(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
InChI
1S/C44H60N6O4/c1-29-21-31-23-37-35(13-15-39(51)45-37)43(25-29)33(31)11-9-19-49(43)41(53)27-47(3)17-7-5-6-8-18-48(4)28-42(54)50-20-10-12-34-32-22-30(2)26-44(34,50)36-14-16-40(52)46-38(36)24-32/h13-16,21-22,31-34H,5-12,17-20,23-28H2,1-4H3,(H,45,51)(H,46,52)/t31?,32?,33-,34-,43-,44-/m1/s1
InChIKey
OSYUHORWAUGEMC-ZTZPCQEHSA-N
PubChem Compound ID
23645104
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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