Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0MZ9Q
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| Former ID |
DNC011219
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| Drug Name |
Bile acid
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| Synonyms |
SCHEMBL18394606; CHEMBL1258080; BDBM21679; 23(S)-methyl-BA derivative, 7c; (2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylpentanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C24H40O5
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| Canonical SMILES |
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
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| InChI |
1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/m0/s1
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| InChIKey |
BHQCQFFYRZLCQQ-UMZBRFQRSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:22868
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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] | |||
| Microbial Enzyme | Bile salt hydrolyase | |||
| Metabolic Reaction | Deconjugation | |||
| Description | Bile acids can be metabolized by the bile salt hydrolyase of gut microbiota through deconjugation. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | G-protein coupled bile acid receptor 1 (GPBAR1) | Target Info | Inhibitor | [1] |
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (s) signalling events | ||||
| WikiPathways | GPCR ligand binding | |||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and SAR of 2-aryl-3-aminomethylquinolines as agonists of the bile acid receptor TGR5. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5718-21. | |||
| REF 2 | Gut Reactions: Breaking Down Xenobiotic-Microbiome Interactions. Pharmacol Rev. 2019 Apr;71(2):198-224. | |||
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