Drug General Information
Drug ID
D07DFF
Former ID
DNC002648
Drug Name
Huperaine A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL

Formula
C15H18N2O
Canonical SMILES
CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
InChI
1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
InChIKey
ZRJBHWIHUMBLCN-YQEJDHNASA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [551374]
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 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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