The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	nelarabine
Synonyms	Arranon C11H15N5O5 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol nelzarabine 9-(beta-D-arabinofuranosyl)-6-methoxy-9H-purin-2-amine Nelzarabine
ID	http://purl.obolibrary.org/obo/CHEBI_63612
ATCCode	L01BB07
binds	http://purl.obolibrary.org/obo/dinto_3867 http://purl.obolibrary.org/obo/dinto_2873 http://purl.obolibrary.org/obo/dinto_3662 http://purl.obolibrary.org/obo/dinto_0105 http://purl.obolibrary.org/obo/dinto_2044
CASRN	121032-29-9
DBBrand	atriance arranon (glaxosmithkline) arranon
DBname	nelarabine
DBSynonym	gw-506u78 nelzarabine
Definition	A purine nucleoside in which O-methylguanine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. Inhibits DNA synthesis and causes cell death; a prodrug of 9-beta-D-arabinofuranosylguanine (ara-G).
has effect	http://purl.obolibrary.org/obo/OAE_0000388 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_0000406 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0001286 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0000801 http://purl.obolibrary.org/obo/OAE_0001369 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0001393 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000482 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000426 http://purl.obolibrary.org/obo/OAE_0000883 http://purl.obolibrary.org/obo/OAE_0001288 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000539 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0000646 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_0000455 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0000995 http://purl.obolibrary.org/obo/OAE_0000671 http://purl.obolibrary.org/obo/OAE_0001014 http://purl.obolibrary.org/obo/OAE_0001308 http://purl.obolibrary.org/obo/OAE_0000494 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0000842 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000542 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0000864 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000898 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000306 http://purl.obolibrary.org/obo/OAE_0000302 http://purl.obolibrary.org/obo/OAE_0000022 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000491 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0001128 http://purl.obolibrary.org/obo/OAE_0001291 http://purl.obolibrary.org/obo/OAE_0000514 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000686 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2873
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_50266
InChI	InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1
InChIKey	InChIKey=IXOXBSCIXZEQEQ-UHTZMRCNSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_3867
is metabolised by	http://purl.obolibrary.org/obo/dinto_3662 http://purl.obolibrary.org/obo/dinto_0105 http://purl.obolibrary.org/obo/dinto_2044
is substrate of	http://purl.obolibrary.org/obo/dinto_3662 http://purl.obolibrary.org/obo/dinto_0105 http://purl.obolibrary.org/obo/dinto_2044
label	nelarabine
prefixIRI	obo2:CHEBI_63612
prefLabel	nelarabine
related with	http://purl.obolibrary.org/obo/dinto_2873
SMILES	COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Synonym	Arranon C11H15N5O5 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol nelzarabine 9-(beta-D-arabinofuranosyl)-6-methoxy-9H-purin-2-amine Nelzarabine
xref	CiteXplore:20043113 KEGG DRUG:D06488 CiteXplore:22184539 CiteXplore:21730354 CiteXplore:21190039 CiteXplore:21715318 Wikipedia:http://en.wikipedia.org/wiki/Nelarabine PubChem Substance:46506325 CiteXplore:20796200 DrugBank:DB01280 ChemSpider:2280207 CiteXplore:18586926 National Drug Code Directory:0007-4401-06 CASRN:121032-29-9 RxList:http://www.rxlist.com/cgi/generic/arranon.htm Drugs.com:http://www.drugs.com/cdi/nelarabine.html KEGG DRUG:D05134 CiteXplore:20616909 PubChem Compound:3011155 CiteXplore:21737993 CiteXplore:19825456 Reaxys:13568768 ChEMBL:775063 CiteXplore:20528871 CiteXplore:21151585 CiteXplore:21353591 PharmGKB:PA164752425 CiteXplore:21320002
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_63612	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63612	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63612	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63612	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63612	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63612	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_63612	CHEBI	LOOM
http://www.drugbank.ca/drugs/DB01280	FTC	LOOM
http://purl.bioontology.org/ontology/RXNORM/274771	RXNORM	LOOM
http://purl.bioontology.org/ontology/MESH/C104457	MESH	LOOM
https://go.drugbank.com/drugs/DB01280	MDM	LOOM
http://purl.obolibrary.org/obo/NCIT_C1704	BERO	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171753	NDFRT	LOOM
http://purl.obolibrary.org/obo/CHEBI_63612	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_63612	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_63612	DRON	LOOM
http://purl.bioontology.org/ontology/NDDF/011068	NDDF	LOOM
http://purl.obolibrary.org/obo/DRON_00018842	ODNAE	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C104457	RH-MESH	LOOM
http://purl.bioontology.org/ontology/ATC/L01BB07	ATC	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043260	PDQ	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026290	PMAPP-PMO	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171753	ODAE	LOOM
http://purl.bioontology.org/ontology/VANDF/4025093	VANDF	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/418784008	SNOMEDCT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1704	NCIT	LOOM
http://stirdf.jst.go.jp/id/200907097885279540	IOBC	LOOM
http://purl.jp/bio/4/id/200906008114320738	IOBC	LOOM