Drug Information

Drug General Information
Drug ID
D00AJB
Former ID
DNC014492
Drug Name
VOACANGINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531166]
Structure
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2D MOL

3D MOL
Formula
C22H28N2O3
Canonical SMILES
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC
InChI
1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14-,20-,22+/m0/s1
InChIKey
MMAYTCMMKJYIAM-RUGRQLENSA-N
PubChem Compound ID
73255
PubChem Substance ID
629327, 43129244, 57319009, 78491705, 103449868, 103830561, 104354856, 123108219, 134351697, 135029228, 137244706, 184548042, 224692515
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [531166]
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 531166Bioorg Med Chem Lett. 2010 Nov 1;20(21):6185-7. Epub 2010 Aug 31.Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities.
Ref 531166Bioorg Med Chem Lett. 2010 Nov 1;20(21):6185-7. Epub 2010 Aug 31.Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities.

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