The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	gemcitabine
Synonyms	gemcitabina 2'-deoxy-2',2'-difluorocytidine gemcitabine gemcitabinum 2',2'-Difluorodeoxycytidine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one C9H11F2N3O4 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one 2'-Deoxy-2',2'-difluorocytidine
ID	http://purl.obolibrary.org/obo/CHEBI_175901
AHFScode	10:00.00
altId	CHEBI:5295 CHEBI:42752
ATCCode	L01BC05
binds	http://purl.obolibrary.org/obo/dinto_1599 http://purl.obolibrary.org/obo/dinto_3360 http://purl.obolibrary.org/obo/dinto_1622 http://purl.obolibrary.org/obo/dinto_2873 http://purl.obolibrary.org/obo/dinto_1692 http://purl.obolibrary.org/obo/dinto_1690 http://purl.obolibrary.org/obo/dinto_2370 http://purl.obolibrary.org/obo/dinto_2044 http://purl.obolibrary.org/obo/dinto_0718 http://purl.obolibrary.org/obo/dinto_1973 http://purl.obolibrary.org/obo/dinto_1885 http://purl.obolibrary.org/obo/dinto_1440
CASRN	95058-81-4
DBBrand	geo gemcin gemzar ddfc dfdc gemtro
DBname	gemcitabine
DBSalt	gemcitabine hydrochloride
DBSynonym	dfdc difluorodeoxycytidine hydrochlorothiazide ly-188011 dfdcyd
Definition	A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. Gemcitabine is used in various carcinomas: non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.
has effect	http://purl.obolibrary.org/obo/OAE_0000879 http://purl.obolibrary.org/obo/OAE_0001059 http://purl.obolibrary.org/obo/OAE_0000303 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0000617 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000493 http://purl.obolibrary.org/obo/OAE_0001286 http://purl.obolibrary.org/obo/OAE_0001369 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0001012 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0001370 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001025 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000984 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000454 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000864 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0001145 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0001443 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000347 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001291 http://purl.obolibrary.org/obo/OAE_0000565 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0001187 http://purl.obolibrary.org/obo/OAE_0000260 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0001366 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0001364 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_1599
has role	http://purl.obolibrary.org/obo/CHEBI_47868 http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_35221 http://purl.obolibrary.org/obo/CHEBI_23924 http://purl.obolibrary.org/obo/CHEBI_36044
InChI	InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
InChIKey	InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N
inhibits	http://purl.obolibrary.org/obo/dinto_1599 http://purl.obolibrary.org/obo/dinto_3360 http://purl.obolibrary.org/obo/dinto_1622
is metabolised by	http://purl.obolibrary.org/obo/dinto_2370 http://purl.obolibrary.org/obo/dinto_2044
is substrate of	http://purl.obolibrary.org/obo/dinto_2370 http://purl.obolibrary.org/obo/dinto_2044 http://purl.obolibrary.org/obo/dinto_0718 http://purl.obolibrary.org/obo/dinto_1973 http://purl.obolibrary.org/obo/dinto_1885 http://purl.obolibrary.org/obo/dinto_1440
is transported by	http://purl.obolibrary.org/obo/dinto_0718 http://purl.obolibrary.org/obo/dinto_1973 http://purl.obolibrary.org/obo/dinto_1885 http://purl.obolibrary.org/obo/dinto_1440
label	gemcitabine
may interact with	http://purl.obolibrary.org/obo/CHEBI_45863 http://purl.obolibrary.org/obo/dinto_DB06287 http://purl.obolibrary.org/obo/CHEBI_53766 http://purl.obolibrary.org/obo/CHEBI_133809 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/CHEBI_59173
prefixIRI	obo2:CHEBI_175901
prefLabel	gemcitabine
related with	http://purl.obolibrary.org/obo/dinto_2873 http://purl.obolibrary.org/obo/dinto_1692 http://purl.obolibrary.org/obo/dinto_1690
SMILES	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
Synonym	gemcitabina 2'-deoxy-2',2'-difluorocytidine gemcitabine gemcitabinum 2',2'-Difluorodeoxycytidine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one C9H11F2N3O4 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one 2'-Deoxy-2',2'-difluorocytidine
xref	CiteXplore:11807603 CiteXplore:12057041 CiteXplore:14653877 CiteXplore:16143373 CiteXplore:12057157 RxList:http://www.rxlist.com/cgi/generic/gemcitab.htm CiteXplore:11374818 CiteXplore:16080557 CiteXplore:16001951 PubChem Substance:46506425 CiteXplore:11595724 Patent:US4808614 CiteXplore:15160243 CiteXplore:16149285 CiteXplore:11088063 CiteXplore:18086345 CiteXplore:19034448 Beilstein:5382060 CiteXplore:18035967 CiteXplore:15542781 PDB:GEO Drugs.com:http://www.drugs.com/cdi/gemcitabine.html CiteXplore:18166944 CiteXplore:18789834 CiteXplore:17429628 Patent:EP1939198 CiteXplore:17941128 CiteXplore:12722678 CiteXplore:18348652 CiteXplore:16807463 CiteXplore:19177022 DrugBank:95058-81-4 CiteXplore:15637766 ChEMBL:17602464 Drugs Product Database (DPD):2230309 Wikipedia:http://en.wikipedia.org/wiki/Gemcitabine CiteXplore:17460420 CiteXplore:11061612 Wikipedia:Gemcitabine ChEBI:175901 CiteXplore:11142482 CiteXplore:11489002 CiteXplore:12761494 Patent:EP2275135 KEGG DRUG:D02368 CiteXplore:16041610 CiteXplore:18981552 CiteXplore:15131028 CiteXplore:12917815 DrugBank:DB00441 CiteXplore:18050344 PubChem Compound:60750 CiteXplore:12115355 CiteXplore:11132538 ChEMBL:17939651 CiteXplore:12722691 Patent:GB2136425 PharmGKB:PA449748 ChemSpider:54753 Reaxys:5382060 Patent:US2010111852 CiteXplore:15297392 CiteXplore:12954073 ChEMBL:17887663 CiteXplore:16894289 CiteXplore:18819792 CiteXplore:11901308 CiteXplore:16584929 Patent:EP2108368 Patent:US2009124797 CiteXplore:11585734 ChEMBL:18257544 National Drug Code Directory:0002-7501-01 CiteXplore:12798170 CiteXplore:15744590 CiteXplore:14720338 CiteXplore:17987263 CiteXplore:16905983 CiteXplore:19399788 CiteXplore:18773046 CiteXplore:17296311 ChEMBL:18186604 CiteXplore:11859947 CASRN:95058-81-4 CiteXplore:11221019 CiteXplore:12057046 CiteXplore:11504793 CiteXplore:12142097 KEGG COMPOUND:C07650 CiteXplore:11510027 CiteXplore:19879060 CiteXplore:17296587 CiteXplore:14606642 CiteXplore:15221904 PDBeChem:GEO CiteXplore:12743987 CiteXplore:16500746 CiteXplore:16807461 CiteXplore:16555971 ChEMBL:17101674 ChEMBL:11356111 CiteXplore:16317298 CiteXplore:12571808 CiteXplore:17347561 CiteXplore:17639396 CiteXplore:19839926 CiteXplore:11122828 CiteXplore:11034044 CiteXplore:15282439
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_175901	GO-PLUS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	OBA	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	INBANCIDO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	CIDO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	ODNAE	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_175901	GO-PLUS	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	OBA	LOOM
http://purl.bioontology.org/ontology/RXNORM/12574	RXNORM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#13323	OCHV	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022036	NDFRT	LOOM
http://purl.obolibrary.org/obo/NCIT_C66876	BERO	LOOM
http://stirdf.jst.go.jp/id/200907036830867540	IOBC	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026284	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/NDDF/005472	NDDF	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000022036	INBANCIDO	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000022036	ODAE	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000022036	CIDO	LOOM
https://go.drugbank.com/drugs/DB00441	MDM	LOOM
http://purl.bioontology.org/ontology/ATC/L01BC05	ATC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C056507	RH-MESH	LOOM
http://purl.bioontology.org/ontology/MESH/D000093542	MESH	LOOM
http://purl.bioontology.org/ontology/VANDF/4024031	VANDF	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66876	NCIT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66876	ROO	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	INBANCIDO	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	CIDO	LOOM
http://purl.obolibrary.org/obo/CHEBI_175901	ODNAE	LOOM
http://www.co-ode.org/ontologies/galen#Gemcitabine	GALEN	LOOM
http://www.drugbank.ca/drugs/DB00441	FTC	LOOM
http://purl.bioontology.org/ontology/CSP/4009-0057	CRISP	LOOM
http://purl.jp/bio/4/id/200906054944923798	IOBC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0045093	OCHV	LOOM
http://purl.bioontology.org/ontology/RCD/h36..	RCD	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386920008	SNOMEDCT	LOOM