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lapatinib (CHEBI:49603)

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ChEBI Name lapatinib
ChEBI ID CHEBI:49603
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49602, CHEBI:38636
Supplier Information
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Formula Source
C29H26ClFN4O4S ChemIDplus
Net Charge 0
Average Mass 581.05840
InChI
InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
InChIKey
BCFGMOOMADDAQU-UHFFFAOYSA-N
SMILES
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Roles Classification
Chemical Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing lapatinib (CHEBI:49603) has functional parent monofluorobenzene (CHEBI:5115)
lapatinib (CHEBI:49603) has role antineoplastic agent (CHEBI:35610)
lapatinib (CHEBI:49603) has role tyrosine kinase inhibitor (CHEBI:38637)
lapatinib (CHEBI:49603) is a furans (CHEBI:24129)
lapatinib (CHEBI:49603) is a organochlorine compound (CHEBI:36683)
lapatinib (CHEBI:49603) is a organofluorine compound (CHEBI:37143)
lapatinib (CHEBI:49603) is a quinazolines (CHEBI:38530)
IUPAC Name
N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine
Synonyms Sources
GW 572016 ChemIDplus
N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine ChemIDplus
N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE PDBeChem
Tykerb ChemIDplus
Database Links Databases
DB01259 DrugBank
FMM PDBeChem
Lapatinib Wikipedia
View more database links
Registry Numbers Types Sources
10502247 Beilstein Registry Number Beilstein
231277-92-2 CAS Registry Number ChemIDplus
Last Modified
29 juin 2010

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