Drug Information

Drug General Information
Drug ID
D03GNI
Former ID
DNC008784
Drug Name
ISOQUINE
Drug Type
Small molecular drug
Indication Malaria [ICD10:B54] Phase 1 [532126]
Structure
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2D MOL

3D MOL
Formula
C20H22ClN3O
Canonical SMILES
CCN(CC)CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI
1S/C20H22ClN3O/c1-3-24(4-2)13-14-5-7-16(12-20(14)25)23-18-9-10-22-19-11-15(21)6-8-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKey
QGFYFOHMBDMGBZ-UHFFFAOYSA-N
PubChem Compound ID
2166
Target and Pathway
Target(s) Potassium voltage-gated channel subfamily H member 2 Target Info Inhibitor [529965]
Cytochrome P450 2D6 Target Info Inhibitor [529965]
KEGG Pathway Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Serotonergic synapse
PathWhiz Pathway Muscle/Heart Contraction
Reactome Voltage gated Potassium channelsR-HSA-211981:Xenobiotics
WikiPathways SIDS Susceptibility Pathways
Hematopoietic Stem Cell Differentiation
Potassium ChannelsWP702:Metapathway biotransformation
Tamoxifen metabolism
Oxidation by Cytochrome P450
Vitamin D Receptor Pathway
Aripiprazole Metabolic Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine Metabolism
References
Ref 532126Antimalarial activity of isoquine against Kenyan Plasmodium falciparum clinical isolates and association with polymorphisms in pfcrt and pfmdr1 genes. J Antimicrob Chemother. 2013 Apr;68(4):786-8.
Ref 529965J Med Chem. 2009 Mar 12;52(5):1408-15.Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century.

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