Drug Information

Drug General Information
Drug ID
D0M9JF
Former ID
DNC013918
Drug Name
Petrosamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529521]
Structure
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2D MOL

3D MOL
Formula
C21H17BrClN3O2
Canonical SMILES
CN1C=CC2=C3C4=C(C(=O)C2=C1)[N+](CC(=O)C4=C5C=CC(=CC5=N3<br />)Br)(C)C.[Cl-]
InChI
1S/C21H17BrN3O2.ClH/c1-24-7-6-12-14(9-24)21(27)20-18-17(16(26)10-25(20,2)3)13-5-4-11(22)8-15(13)23-19(12)18;/h4-9H,10H2,1-3H3;1H/q+1;/p-1
InChIKey
YWXZSQALRCVSLY-UHFFFAOYSA-M
PubChem Compound ID
360199
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529521]
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 529521Bioorg Med Chem. 2008 Jul 1;16(13):6560-7. Epub 2008 May 15.Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.
Ref 529521Bioorg Med Chem. 2008 Jul 1;16(13):6560-7. Epub 2008 May 15.Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

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