Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0IM5E
|
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| Former ID |
DNC009047
|
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| Drug Name |
Desethyl isoquine
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H18ClN3O
|
||||
| Canonical SMILES |
CCNCC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
|
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| InChI |
1S/C18H18ClN3O/c1-2-20-11-12-3-5-14(10-18(12)23)22-16-7-8-21-17-9-13(19)4-6-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)
|
||||
| InChIKey |
XWBLHPDICBKAEX-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 2D6 | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Metabolism of xenobiotics by cytochrome P450 | ||||
| Drug metabolism - cytochrome P450 | |||||
| Serotonergic synapse | |||||
| Reactome | Xenobiotics | ||||
| WikiPathways | 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 1 | J 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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