The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	sunitinib
Synonyms	C22H27FN4O2 sunitinibum Sutent sunitinib N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide Sunitinib SU-11248 N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
ID	http://purl.obolibrary.org/obo/CHEBI_38940
AHFScode	92:00.00
ATCCode	L01XE04
binds	http://purl.obolibrary.org/obo/dinto_0887 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_0300 http://purl.obolibrary.org/obo/dinto_0552 http://purl.obolibrary.org/obo/dinto_2698 http://purl.obolibrary.org/obo/dinto_2270 http://purl.obolibrary.org/obo/dinto_0920 http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_0376 http://purl.obolibrary.org/obo/dinto_0912 http://purl.obolibrary.org/obo/dinto_2271 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956
blocks	http://purl.obolibrary.org/obo/dinto_0920 http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_0912 http://purl.obolibrary.org/obo/dinto_2271 http://purl.obolibrary.org/obo/dinto_0376
CASRN	557795-19-4
DBBrand	sutent
DBname	sunitinib
DBSalt	sunitinib malate
DBSynonym	su011248 su11248
Definition	A pyrrole that has formula C22H27FN4O2.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000599 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000081 http://purl.obolibrary.org/obo/OAE_0000303 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000557 http://purl.obolibrary.org/obo/OAE_0001154 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000198 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000650 http://purl.obolibrary.org/obo/OAE_0001249 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0001186 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001455 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000577 http://purl.obolibrary.org/obo/OAE_0000212 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0001013 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0001378 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0001450 http://purl.obolibrary.org/obo/OAE_0001365 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001053 http://purl.obolibrary.org/obo/OAE_0000861 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0001063 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000989 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0001340 http://purl.obolibrary.org/obo/OAE_0001062 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001234 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000100 http://purl.obolibrary.org/obo/OAE_0001003 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0001200 http://purl.obolibrary.org/obo/OAE_0001190 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_0002206 http://purl.obolibrary.org/obo/OAE_0001363 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0001004 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000525 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000329 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0001209 http://purl.obolibrary.org/obo/OAE_0000505 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_0000602 http://purl.obolibrary.org/obo/OAE_0000336 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_0000362 http://purl.obolibrary.org/obo/OAE_0001128 http://purl.obolibrary.org/obo/OAE_0000296 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000346 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000242 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0001366 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0001044 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001054
has pharmacological target	http://purl.obolibrary.org/obo/dinto_0920 http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_0376
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_48422
InChI	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey	InChIKey=WINHZLLDWRZWRT-ATVHPVEESA-N
inhibits	http://purl.obolibrary.org/obo/dinto_0887 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_0300
is metabolised by	http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956
is substrate of	http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956
label	sunitinib
may interact with	http://purl.obolibrary.org/obo/CHEBI_41879 http://purl.obolibrary.org/obo/dinto_DB00112 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_156095 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/dinto_DB06287 http://purl.obolibrary.org/obo/CHEBI_63632 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/CHEBI_51364 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_10119 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_9635 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_45716 http://purl.obolibrary.org/obo/dinto_DB00072 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/CHEBI_195280 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/dinto_DB01623 http://purl.obolibrary.org/obo/dinto_DB00976
modulates	http://purl.obolibrary.org/obo/dinto_0920 http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_0912 http://purl.obolibrary.org/obo/dinto_2271 http://purl.obolibrary.org/obo/dinto_0376
prefixIRI	obo2:CHEBI_38940
prefLabel	sunitinib
related with	http://purl.obolibrary.org/obo/dinto_0552 http://purl.obolibrary.org/obo/dinto_2698 http://purl.obolibrary.org/obo/dinto_2270
SMILES	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C CCN(CC)CCNC(=O)c1c(C)[nH]c(\\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Synonym	C22H27FN4O2 sunitinibum Sutent sunitinib N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide Sunitinib SU-11248 N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
xref	Drugs Product Database (DPD):2280795 CASRN:557795-19-4 ChEBI:38940 ChemSpider:4486264 BindingDB:4814 PDB:B49 DrugBank:DB01268 RxList:http://www.rxlist.com/cgi/generic/sutent.htm ChEMBL:113048 Drugs.com:http://www.drugs.com/cdi/sunitinib.html National Drug Code Directory:0069-0550-38 Wikipedia:Sunitinib PubChem Substance:46507140 Wikipedia:http://en.wikipedia.org/wiki/Sunitinib PubChem Compound:5329102 PharmGKB:PA162372840
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_38940	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	FYPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38940	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	CHEBI	LOOM
http://purl.obolibrary.org/obo/XCO_0000534	XCO	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	FYPO	LOOM
http://purl.bioontology.org/ontology/LNC/LA30250-7	LOINC	LOOM
http://purl.obolibrary.org/obo/NCIT_C71622	BERO	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171744	NDFRT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C71622	NCIT	LOOM
http://purl.jp/bio/4/id/200906019329636681	IOBC	LOOM
http://purl.bioontology.org/ontology/ATC/L01EX01	ATC	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026222	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/421192001	SNOMEDCT	LOOM
https://go.drugbank.com/drugs/DB01268	MDM	LOOM
http://www.drugbank.ca/drugs/DB01268	FTC	LOOM
http://stirdf.jst.go.jp/id/200907014590874087	IOBC	LOOM
http://www.semanticweb.org/hx-jta/ontologies/thyroid_cancer_ontology#Sunitinib	TCO	LOOM
http://purl.bioontology.org/ontology/RXNORM/357977	RXNORM	LOOM
http://purl.bioontology.org/ontology/VANDF/4025079	VANDF	LOOM
http://purl.bioontology.org/ontology/MESH/D000077210	MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C473478	RH-MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_38940	NIFSTD	LOOM