Drug Information

Drug General Information
Drug ID
D0F5EJ
Former ID
DNC005607
Drug Name
LIPOCRINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530437]
Formula
C24H32ClN3OS2
Canonical SMILES
C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCNC(=O)CCCCC4CCSS4
InChI
1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
InChIKey
QVGXTQPZHCDXRZ-UHFFFAOYSA-N
PubChem Compound ID
11375002
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [530437]
Cholinesterase Target Info Inhibitor [530437]
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 pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 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 PathwayWP229:Irinotecan Pathway
References
Ref 530437J Med Chem. 2009 Dec 10;52(23):7883-6.Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks.
Ref 530437J Med Chem. 2009 Dec 10;52(23):7883-6.Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks.

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