The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_49960 http://purl.obolibrary.org/obo/CHEBI_49960
Preferred Name	vandetanib
Synonyms	C22H24BrFN4O2 Zactima (4Z)-N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]-1,4-dihydroquinazolin-4-imine ZD6474 4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE ZD 6474 N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine vandetanib
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	vandetanib
label	vandetanib
DBSynonym	4-quinazolinamine, n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]- zd-6474 n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
ATCCode	L01XE12
Definition	Vandetanib is an oral once-daily kinase inhibitor of tumour angiogenesis and tumour cell proliferation with the potential for use in a broad range of tumour types. On April 6 2011, vandetanib was approved by the FDA to treat nonresectable, locally advanced, or metastatic medullary thyroid cancer in adult patients. A quinazoline that is 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline bearing additional methoxy and 4-bromo-2-fluorophenylamino substituents at positions 6 and 4 respectively. Used for the treatment of symptomatic or progressive medullary thyroid cancer in patients with unresectable locally advanced or metastatic disease.
altId	CHEBI:38942 CHEBI:49959
inhibits	http://purl.obolibrary.org/obo/dinto_1804 http://purl.obolibrary.org/obo/dinto_2626 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2792 http://purl.obolibrary.org/obo/dinto_2763 http://purl.obolibrary.org/obo/dinto_2828 See more See less
type	http://www.w3.org/2002/07/owl#Class
binds	http://purl.obolibrary.org/obo/dinto_3582 http://purl.obolibrary.org/obo/dinto_0217
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_38637
InChIKey	InChIKey=UHTHHESEBZOYNR-UHFFFAOYNA-N InChIKey=UHTHHESEBZOYNR-UHFFFAOYSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_2048 http://purl.obolibrary.org/obo/dinto_2045
Synonym	C22H24BrFN4O2 Zactima (4Z)-N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]-1,4-dihydroquinazolin-4-imine ZD6474 4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE ZD 6474 N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine vandetanib See more See less
xref	Patent:US2008032989 Patent:WO2006005915 CiteXplore:17631646 CiteXplore:21718364 CiteXplore:17136225 CiteXplore:19088171 CiteXplore:19002384 CiteXplore:22245891 CiteXplore:17409986 CiteXplore:15623658 CiteXplore:16140331 CiteXplore:19220256 CiteXplore:22781612 ChEMBL:133576 CiteXplore:22665903 CiteXplore:22608542 CiteXplore:22701615 PDBeChem:ZD6 CiteXplore:15367698 Patent:WO2005115145 CiteXplore:21353546 Patent:US2006135486 CiteXplore:22075979 CiteXplore:19946413 CiteXplore:22633931 CiteXplore:17878479 CiteXplore:17912240 Wikipedia:Vandetanib PDB:ZD6 CiteXplore:19211364 CiteXplore:16361567 Patent:WO2008007113 Patent:WO2012055015 CiteXplore:22307735 Reaxys:9161676 ChemSpider:2338979 DrugBank:DB08764 CASRN:443913-73-3 CiteXplore:16783964 CiteXplore:18936474 CiteXplore:21046425 CiteXplore:22343387 CiteXplore:15596048 CiteXplore:17393165 CiteXplore:19883226 CiteXplore:14760102 BindingDB:4655 CiteXplore:19622715 CiteXplore:19687425 CiteXplore:19394692 CiteXplore:15928657 CiteXplore:22370318 CiteXplore:16299247 CiteXplore:19881951 Patent:WO2008001101 CiteXplore:12684431 CiteXplore:22169262 CiteXplore:18228115 Patent:US2008199480 CiteXplore:19512898 Patent:WO2007036713 CiteXplore:16377413 Wikipedia:http://en.wikipedia.org/wiki/Vandetanib CiteXplore:18698025 CiteXplore:22938056 CiteXplore:22667325 Patent:WO2009024825 CiteXplore:22184381 CiteXplore:15623642 CiteXplore:16688779 CiteXplore:16179094 CiteXplore:19349511 CiteXplore:15604279 CiteXplore:22346266 CiteXplore:22611027 CiteXplore:16843002 CiteXplore:22898678 CiteXplore:15305185 National Drug Code Directory:00310-7830-30 CiteXplore:19332730 ChEBI:49960 CiteXplore:22500115 CiteXplore:20371720 CiteXplore:22830347 KEGG DRUG:D06407 CiteXplore:22158569 CiteXplore:22505191 See more See less
CASRN	443913-73-3
prefixIRI	obo2:CHEBI_49960
related with	http://purl.obolibrary.org/obo/dinto_2886
SMILES	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 COC1=CC2=C(NC=N\C2=N/C2=CC=C(Br)C=C2F)C=C1OCC1CCN(C)CC1
may interact with	http://purl.obolibrary.org/obo/CHEBI_119486 http://purl.obolibrary.org/obo/CHEBI_41879 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/dinto_DB00794 http://purl.obolibrary.org/obo/CHEBI_45304 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/dinto_DB00312 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_7447 http://purl.obolibrary.org/obo/CHEBI_51450 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/CHEBI_63613 See more See less
DBname	4-bromo-2-fluoro-n-[(4e)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4(1h)-ylidene]aniline
InChI	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) InChI=1/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
DBBrand	zictifa zactima caprelsa
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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