The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	capecitabine
Synonyms	pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate capecitabinum (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester capecitabina C15H22FN3O6 Xeloda Capecitabin capecitabine
ID	http://purl.obolibrary.org/obo/CHEBI_31348
AHFScode	10:00.00
ATCCode	L01BC06
CASRN	154361-50-9
DBBrand	xeloda
DBname	capecitabine
DBSynonym	r340
Definition	A carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted to its N-(penyloxy)carbonyl derivative.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0000785 http://purl.obolibrary.org/obo/OAE_0001059 http://purl.obolibrary.org/obo/OAE_0000599 http://purl.obolibrary.org/obo/OAE_0000875 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000081 http://purl.obolibrary.org/obo/OAE_0000573 http://purl.obolibrary.org/obo/OAE_0000303 http://purl.obolibrary.org/obo/OAE_0000236 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0001154 http://purl.obolibrary.org/obo/OAE_0001098 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001437 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0000630 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000479 http://purl.obolibrary.org/obo/OAE_0000659 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000596 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000650 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0001186 http://purl.obolibrary.org/obo/OAE_0001431 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0001360 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0001013 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000967 http://purl.obolibrary.org/obo/OAE_0000412 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0000482 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0001069 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001270 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000979 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0001288 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000539 http://purl.obolibrary.org/obo/OAE_0000169 http://purl.obolibrary.org/obo/OAE_0000103 http://purl.obolibrary.org/obo/OAE_0000861 http://purl.obolibrary.org/obo/OAE_0000340 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0001063 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0001238 http://purl.obolibrary.org/obo/OAE_0001042 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000981 http://purl.obolibrary.org/obo/OAE_0001463 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0001340 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0000517 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001234 http://purl.obolibrary.org/obo/OAE_0001105 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000502 http://purl.obolibrary.org/obo/OAE_0000100 http://purl.obolibrary.org/obo/OAE_0001003 http://purl.obolibrary.org/obo/OAE_0000312 http://purl.obolibrary.org/obo/OAE_0001322 http://purl.obolibrary.org/obo/OAE_0001243 http://purl.obolibrary.org/obo/OAE_0001295 http://purl.obolibrary.org/obo/OAE_0001137 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001308 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0001142 http://purl.obolibrary.org/obo/OAE_0000268 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000772 http://purl.obolibrary.org/obo/OAE_0000494 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0001382 http://purl.obolibrary.org/obo/OAE_0000842 http://purl.obolibrary.org/obo/OAE_0001153 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000542 http://purl.obolibrary.org/obo/OAE_0000440 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0000864 http://purl.obolibrary.org/obo/OAE_0000473 http://purl.obolibrary.org/obo/OAE_0001281 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000752 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001202 http://purl.obolibrary.org/obo/OAE_0001742 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000329 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000917 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0001434 http://purl.obolibrary.org/obo/OAE_0000898 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000194 http://purl.obolibrary.org/obo/OAE_0000302 http://purl.obolibrary.org/obo/OAE_0001400 http://purl.obolibrary.org/obo/OAE_0001356 http://purl.obolibrary.org/obo/OAE_0000022 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000491 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0001279 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0001052 http://purl.obolibrary.org/obo/OAE_0000768 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000347 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000514 http://purl.obolibrary.org/obo/OAE_0000296 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0001035 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000456 http://purl.obolibrary.org/obo/OAE_0000890 http://purl.obolibrary.org/obo/OAE_0001366 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0000480 http://purl.obolibrary.org/obo/OAE_0000513 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 http://purl.obolibrary.org/obo/OAE_0000350 http://purl.obolibrary.org/obo/OAE_0000304
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2873 http://purl.obolibrary.org/obo/dinto_0144 http://purl.obolibrary.org/obo/dinto_1622
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_35221 http://purl.obolibrary.org/obo/CHEBI_50266
InChI	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
InChIKey	InChIKey=GAGWJHPBXLXJQN-UORFTKCHSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_1622
is metabolised by	http://purl.obolibrary.org/obo/dinto_3619 http://purl.obolibrary.org/obo/dinto_0470 http://purl.obolibrary.org/obo/dinto_2370 http://purl.obolibrary.org/obo/dinto_2755
label	capecitabine
may interact with	http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_10100 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/CHEBI_4888 http://purl.obolibrary.org/obo/dinto_DB00532 http://purl.obolibrary.org/obo/dinto_DB00214 http://purl.obolibrary.org/obo/CHEBI_53766 http://purl.obolibrary.org/obo/CHEBI_133809 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB00440 http://purl.obolibrary.org/obo/CHEBI_10033 http://purl.obolibrary.org/obo/CHEBI_4513 http://purl.obolibrary.org/obo/dinto_DB00072 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/CHEBI_27999
prefixIRI	obo2:CHEBI_31348
prefLabel	capecitabine
related with	http://purl.obolibrary.org/obo/dinto_2873 http://purl.obolibrary.org/obo/dinto_0144
SMILES	CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
Synonym	pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate capecitabinum (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester capecitabina C15H22FN3O6 Xeloda Capecitabin capecitabine
xref	ChemSpider:54916 ChEBI:31348 Drugs Product Database (DPD):2238454 KEGG COMPOUND:C12650 Wikipedia:Capecitabine DrugBank:DB01101 Reaxys:8583270 PubChem Substance:46508686 Wikipedia:http://en.wikipedia.org/wiki/Capecitabine National Drug Code Directory:0004-1100-20 ChEMBL:698447 PubChem Compound:60953 KEGG DRUG:D01223 CASRN:154361-50-9 RxList:http://www.rxlist.com/cgi/generic3/capecitabine.htm Drugs.com:http://www.drugs.com/cdi/capecitabine.html PharmGKB:PA448771
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_31348	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31348	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31348	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31348	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31348	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31348	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31348	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_31348	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_31348	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_31348	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_31348	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_31348	NIFSTD	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018387	PMAPP-PMO	LOOM
http://www.drugbank.ca/drugs/DB01101	FTC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#42556	OCHV	LOOM
http://purl.obolibrary.org/obo/OMIT_0001396	OMIT	LOOM
http://purl.jp/bio/4/id/200906036949004326	IOBC	LOOM
http://www.co-ode.org/ontologies/galen#Capecitabine	GALEN	LOOM
https://go.drugbank.com/drugs/DB01101	MDM	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000042852	PDQ	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0671970	OCHV	LOOM
http://purl.bioontology.org/ontology/MESH/D000069287	MESH	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148555	ODAE	LOOM
http://purl.obolibrary.org/obo/NCIT_C1794	BERO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386906001	SNOMEDCT	LOOM
http://scai.fraunhofer.de/HuPSON#SCAIVPH_00001231	HUPSON	LOOM
http://purl.bioontology.org/ontology/ATC/L01BC06	ATC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148555	NDFRT	LOOM
http://purl.bioontology.org/ontology/VANDF/4021099	VANDF	LOOM
http://stirdf.jst.go.jp/id/200907014108577410	IOBC	LOOM
http://purl.obolibrary.org/obo/DRON_00010402	ODNAE	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1794	NCIT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1794	ROO	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C110904	RH-MESH	LOOM
http://purl.bioontology.org/ontology/RXNORM/194000	NLMVS	LOOM
http://purl.bioontology.org/ontology/RXNORM/194000	RXNORM	LOOM
http://purl.obolibrary.org/obo/MESH_D000069287	BERO	LOOM