Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0QM4U
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| Drug Name |
Isoarnebin 4
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| Synonyms |
Shikonin; NSC 252844; Shikonin S; Shikonin,(S); Tokyo Violet
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| Drug Type |
Small molecular drug
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| Indication | Coronavirus Disease 2019 (COVID-19) [ICD-11: 1D6Y] | Investigative | [1] | |
| Therapeutic Class |
Antiviral Agents
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| Structure |
 |
Download2D MOL |
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| Formula |
C16H16O5
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| Canonical SMILES |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
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| InChI |
1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
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| InChIKey |
NEZONWMXZKDMKF-SNVBAGLBSA-N
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| CAS Number |
CAS 517-89-5
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:81068
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | COVID-19 papain-like proteinase (PL-PRO) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9. | |||
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