Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00HCQ
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| Former ID |
DAP000761
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| Drug Name |
Capecitabine
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| Synonyms |
Capecitabin; Capecitabina; Capecitabinum; Capecitibine; Capiibine; Caxeta; Xabine; Xeloda; Capecitabine [USAN]; R340;R-340; RG-340; Ro 09-1978; Xeloda (TN); Ro 09-1978/000; Ro-09-1978; Xeloda, Captabin, Capecitabine; Capecitabine (JAN/USAN/INN); Ro-09-1978/000; N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine; Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate; Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate; Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester; Pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate; (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester; 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine; 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Capecitabine (Fluoropyrimidine)
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| Drug Type |
Small molecular drug
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| Indication | Colorectal cancer [ICD-11: 2B91.Z] | Approved | [1], [2] | |
| Breast cancer [ICD-11: 2C60-2C65] | Phase 3 | [1], [2] | ||
| Therapeutic Class |
Anticancer Agents
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| Company |
Roche
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| Structure |
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Download2D MOL |
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| Formula |
C15H22FN3O6
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| Canonical SMILES |
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
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| InChI |
1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
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| InChIKey |
GAGWJHPBXLXJQN-UORFTKCHSA-N
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| CAS Number |
CAS 154361-50-9
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| PubChem Compound ID | ||||
| PubChem Substance ID |
583040, 7848286, 7978485, 8187136, 12014895, 14828191, 14925873, 29214852, 43118267, 46508686, 49960125, 53790473, 57314195, 71821403, 74459733, 99436918, 103724218, 104322032, 117506114, 117673331, 118048469, 119526524, 124757042, 125163846, 126653765, 126671131, 127925204, 134338046, 134358377, 135017419, 135693779, 135723537, 136368008, 136375551, 136949108, 137005622, 140014282, 143493385, 144115785, 144205751, 152059549, 152235778, 152258963, 160647810, 160964435, 162011675, 163304897, 164175281, 164194987, 165245546
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| ChEBI ID |
CHEBI:31348
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| ADReCS Drug ID | BADD_D00349 | |||
| SuperDrug ATC ID |
L01BC06
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| SuperDrug CAS ID |
cas=154361509
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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): Enterobacterales | ||||
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Studied Microbe: Salmonella typhimurium LT2
Show/Hide Hierarchy
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Capecitabine can be metabolized by Salmonella typhimurium LT2 (log2FC = -3.688; p = 0.014). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [4] | |||
| Metabolic Reaction | Deglycosylation | |||
| Experimental Method | High-throughput screening | |||
| Description | Capecitabine can be metabolized by gut microbiota through deglycosylation. | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6799). | |||
| REF 2 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 4 | Personalized Mapping of Drug Metabolism by the Human Gut Microbiome. Cell. 2020 Jun 25;181(7):1661-1679.e22. | |||
| REF 5 | UGT1A7 and UGT1A9 polymorphisms predict response and toxicity in colorectal cancer patients treated with capecitabine/irinotecan. Clin Cancer Res. 2005 Feb 1;11(3):1226-36. | |||
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