Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03GNI
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| Former ID |
DNC008784
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| Drug Name |
ISOQUINE
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| Synonyms |
ISOQUINE; CHEMBL147587; NINDS_000687; Spectrum_000046; Spectrum4_000147; Spectrum2_000768; Spectrum5_000808; Spectrum3_000299; AC1L1D2I; KBioSS_000426; BSPBio_001838; KBioGR_000594; DivK1c_000687; SPBio_000816; SCHEMBL5836418; KBio2_000426; KBio1_000687; KBio3_001338; KBio2_002994; CTK6E7963; KBio2_005562; ZINC36378506; BDBM50134931; IDI1_000687; NCGC00178968-01; SBI-0051280.P003; AB00053418_02; 5-(7-chloroquinolin-4-ylamino)-2-diethylaminomethylphenol; 5-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
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| Drug Type |
Small molecular drug
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| Indication | Malaria [ICD-11: 1F40-1F45; ICD-10: B50-B64, B54] | Phase 1 | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C20H22ClN3O
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| Canonical SMILES |
CCN(CC)CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
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| 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)
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| InChIKey |
QGFYFOHMBDMGBZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Debrisoquine 4-hydroxylase (CYP2D6) | Target Info | Inhibitor | [2] |
| Voltage-gated potassium channel Kv11.1 (KCNH2) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Metabolism of xenobiotics by cytochrome P450 | |||
| Drug metabolism - cytochrome P450 | ||||
| Serotonergic synapse | ||||
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Voltage gated Potassium channels | |||
| Xenobiotics | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Hematopoietic Stem Cell Differentiation | ||||
| Potassium Channels | ||||
| Metapathway biotransformation | ||||
| Tamoxifen metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Vitamin D Receptor Pathway | ||||
| Aripiprazole Metabolic Pathway | ||||
| Fatty Acid Omega Oxidation | ||||
| Codeine and Morphine Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Antimalarial 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 2 | Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15. | |||
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