The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

capecitabine

Synonyms

5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine

capecitabinum

C15H22FN3O6

capecitabine

(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester

Xeloda

Capecitabin

capecitabina

pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate

Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate

pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate

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_0000100

http://purl.obolibrary.org/obo/OAE_0000599

http://purl.obolibrary.org/obo/OAE_0000081

http://purl.obolibrary.org/obo/OAE_0000494

http://purl.obolibrary.org/obo/OAE_0000505

http://purl.obolibrary.org/obo/OAE_0000355

http://purl.obolibrary.org/obo/OAE_0000573

http://purl.obolibrary.org/obo/OAE_0000411

http://purl.obolibrary.org/obo/OAE_0000400

http://purl.obolibrary.org/obo/OAE_0001322

http://purl.obolibrary.org/obo/OAE_0000770

http://purl.obolibrary.org/obo/OAE_0001068

http://purl.obolibrary.org/obo/OAE_0000401

http://purl.obolibrary.org/obo/OAE_0000412

http://purl.obolibrary.org/obo/OAE_0000772

http://purl.obolibrary.org/obo/OAE_0000185

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0001288

http://purl.obolibrary.org/obo/OAE_0000981

http://purl.obolibrary.org/obo/OAE_0000632

http://purl.obolibrary.org/obo/OAE_0000968

http://purl.obolibrary.org/obo/OAE_0000979

http://purl.obolibrary.org/obo/OAE_0000608

http://purl.obolibrary.org/obo/OAE_0000842

http://purl.obolibrary.org/obo/OAE_0000218

http://purl.obolibrary.org/obo/OAE_0001153

http://purl.obolibrary.org/obo/OAE_0001105

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0000473

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0001035

http://purl.obolibrary.org/obo/OAE_0000496

http://purl.obolibrary.org/obo/OAE_0000864

http://purl.obolibrary.org/obo/OAE_0000875

http://purl.obolibrary.org/obo/OAE_0001186

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0000333

http://purl.obolibrary.org/obo/OAE_0001437

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000898

http://purl.obolibrary.org/obo/OAE_0001449

http://purl.obolibrary.org/obo/OAE_0000268

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000902

http://purl.obolibrary.org/obo/OAE_0000533

http://purl.obolibrary.org/obo/OAE_0001279

http://purl.obolibrary.org/obo/OAE_0001052

http://purl.obolibrary.org/obo/OAE_0000545

http://purl.obolibrary.org/obo/OAE_0001142

http://purl.obolibrary.org/obo/OAE_0000534

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0001489

http://purl.obolibrary.org/obo/OAE_0000890

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0000440

http://purl.obolibrary.org/obo/OAE_0000050

http://purl.obolibrary.org/obo/OAE_0000789

http://purl.obolibrary.org/obo/OAE_0001164

http://purl.obolibrary.org/obo/OAE_0001013

http://purl.obolibrary.org/obo/OAE_0000650

http://purl.obolibrary.org/obo/OAE_0000312

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000418

http://purl.obolibrary.org/obo/OAE_0001340

http://purl.obolibrary.org/obo/OAE_0001003

http://purl.obolibrary.org/obo/OAE_0000604

http://purl.obolibrary.org/obo/OAE_0000302

http://purl.obolibrary.org/obo/OAE_0001742

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0001234

http://purl.obolibrary.org/obo/OAE_0001281

http://purl.obolibrary.org/obo/OAE_0000456

http://purl.obolibrary.org/obo/OAE_0001270

http://purl.obolibrary.org/obo/OAE_0000236

http://purl.obolibrary.org/obo/OAE_0000596

http://purl.obolibrary.org/obo/OAE_0000480

http://purl.obolibrary.org/obo/OAE_0000491

http://purl.obolibrary.org/obo/OAE_0000502

http://purl.obolibrary.org/obo/OAE_0000513

http://purl.obolibrary.org/obo/OAE_0000468

http://purl.obolibrary.org/obo/OAE_0000501

http://purl.obolibrary.org/obo/OAE_0000329

http://purl.obolibrary.org/obo/OAE_0001098

http://purl.obolibrary.org/obo/OAE_0001063

http://purl.obolibrary.org/obo/OAE_0000317

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0000479

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000630

http://purl.obolibrary.org/obo/OAE_0000169

http://purl.obolibrary.org/obo/OAE_0001744

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0001364

http://purl.obolibrary.org/obo/OAE_0001515

http://purl.obolibrary.org/obo/OAE_0001202

http://purl.obolibrary.org/obo/OAE_0000539

http://purl.obolibrary.org/obo/OAE_0000967

http://purl.obolibrary.org/obo/OAE_0000943

http://purl.obolibrary.org/obo/OAE_0000517

http://purl.obolibrary.org/obo/OAE_0001505

http://purl.obolibrary.org/obo/OAE_0000022

http://purl.obolibrary.org/obo/OAE_0001137

http://purl.obolibrary.org/obo/OAE_0000482

http://purl.obolibrary.org/obo/OAE_0000424

http://purl.obolibrary.org/obo/OAE_0000861

http://purl.obolibrary.org/obo/OAE_0001400

http://purl.obolibrary.org/obo/OAE_0000597

http://purl.obolibrary.org/obo/OAE_0001042

http://purl.obolibrary.org/obo/OAE_0001434

http://purl.obolibrary.org/obo/OAE_0000343

http://purl.obolibrary.org/obo/OAE_0001382

http://purl.obolibrary.org/obo/OAE_0000785

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0000691

http://purl.obolibrary.org/obo/OAE_0001275

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0001217

http://purl.obolibrary.org/obo/OAE_0000194

http://purl.obolibrary.org/obo/OAE_0001298

http://purl.obolibrary.org/obo/OAE_0001463

http://purl.obolibrary.org/obo/OAE_0000487

http://purl.obolibrary.org/obo/OAE_0000103

http://purl.obolibrary.org/obo/OAE_0000542

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000403

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000752

http://purl.obolibrary.org/obo/OAE_0001059

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0001069

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0000415

http://purl.obolibrary.org/obo/OAE_0001360

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000243

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0001154

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0000647

http://purl.obolibrary.org/obo/OAE_0001243

http://purl.obolibrary.org/obo/OAE_0001166

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0001026

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0000347

http://purl.obolibrary.org/obo/OAE_0000086

http://purl.obolibrary.org/obo/OAE_0000350

http://purl.obolibrary.org/obo/OAE_0000687

http://purl.obolibrary.org/obo/OAE_0000303

http://purl.obolibrary.org/obo/OAE_0000166

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0000660

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000210

http://purl.obolibrary.org/obo/OAE_0000917

http://purl.obolibrary.org/obo/OAE_0001055

http://purl.obolibrary.org/obo/OAE_0000514

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0000825

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0000443

http://purl.obolibrary.org/obo/OAE_0002122

http://purl.obolibrary.org/obo/OAE_0001431

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0000768

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000304

http://purl.obolibrary.org/obo/OAE_0000340

http://purl.obolibrary.org/obo/OAE_0001356

http://purl.obolibrary.org/obo/OAE_0001308

http://purl.obolibrary.org/obo/OAE_0001366

http://purl.obolibrary.org/obo/OAE_0000618

http://purl.obolibrary.org/obo/OAE_0000296

http://purl.obolibrary.org/obo/OAE_0001238

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0001295

http://purl.obolibrary.org/obo/OAE_0000551

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1622

http://purl.obolibrary.org/obo/dinto_0144

http://purl.obolibrary.org/obo/dinto_2873

has role

http://purl.obolibrary.org/obo/CHEBI_50266

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_35221

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_2370

http://purl.obolibrary.org/obo/dinto_0470

http://purl.obolibrary.org/obo/dinto_2755

label

capecitabine

may interact with

http://purl.obolibrary.org/obo/CHEBI_10033

http://purl.obolibrary.org/obo/dinto_DB01320

http://purl.obolibrary.org/obo/CHEBI_4513

http://purl.obolibrary.org/obo/CHEBI_41774

http://purl.obolibrary.org/obo/CHEBI_133809

http://purl.obolibrary.org/obo/dinto_DB00214

http://purl.obolibrary.org/obo/dinto_DB00072

http://purl.obolibrary.org/obo/dinto_DB00532

http://purl.obolibrary.org/obo/dinto_DB00440

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/CHEBI_53766

http://purl.obolibrary.org/obo/CHEBI_27999

http://purl.obolibrary.org/obo/CHEBI_8107

http://purl.obolibrary.org/obo/CHEBI_10100

http://purl.obolibrary.org/obo/CHEBI_4888

prefixIRI

obo2:CHEBI_31348

prefLabel

capecitabine

related with

http://purl.obolibrary.org/obo/dinto_0144

http://purl.obolibrary.org/obo/dinto_2873

SMILES

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

Synonym

5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine

capecitabinum

C15H22FN3O6

capecitabine

(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester

Xeloda

Capecitabin

capecitabina

pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate

Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate

pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate

xref

RxList:http://www.rxlist.com/cgi/generic3/capecitabine.htm

DrugBank:DB01101

KEGG DRUG:D01223

CASRN:154361-50-9

ChemSpider:54916

Reaxys:8583270

PubChem Substance:46508686

Wikipedia:Capecitabine

National Drug Code Directory:0004-1100-20

Drugs.com:http://www.drugs.com/cdi/capecitabine.html

Wikipedia:http://en.wikipedia.org/wiki/Capecitabine

KEGG COMPOUND:C12650

ChEBI:31348

Drugs Product Database (DPD):2238454

PubChem Compound:60953

ChEMBL:698447

PharmGKB:PA448771

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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