Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08PUW
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| Former ID |
DNC009519
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| Drug Name |
BAICALIN
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| Synonyms |
Baicalin; 21967-41-9; Baicalein 7-O-glucuronide; 7-D-Glucuronic acid-5,6-dihydroxyflavone; CHEBI:2981; CHEMBL485818; UNII-347Q89U4M5; 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid; Baicalin hydrate; 347Q89U4M5; (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide; BAICAILIN; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; 31564-28-0
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 279.3] | Terminated | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H18O11
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| Canonical SMILES |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
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| InChI |
1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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| InChIKey |
IKIIZLYTISPENI-ZFORQUDYSA-N
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| CAS Number |
CAS 21967-41-9
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:2981
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [2] | |||
| Metabolic Reaction | Hydrolysis and deglycosylation | |||
| Resulting Metabolite | Baicalein; Oroxylin A | |||
| Metabolic Effect | Increase activity; Decrease toxicity | |||
| Description | Baicalin can be metabolized to Baicalein and Oroxylin A by gut microbiota through hydrolysis and deglycosylation, which results in the increase of drug's activity and the decrease of the drug's toxicity. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prolyl endopeptidase (PREP) | Target Info | Inhibitor | [3] |
| KEGG Pathway | Renin-angiotensin system | |||
| Panther Pathway | Vasopressin synthesis | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007921) | |||
| REF 2 | The influence of gut microbiota on drug metabolism and toxicity. Expert Opin Drug Metab Toxicol. 2016;12(1):31-40. | |||
| REF 3 | Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors. J Med Chem. 2010 May 13;53(9):3423-38. | |||
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