CHEBI:61400 - WZ4002

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ChEBI Name WZ4002 ChEBI ID CHEBI:61400 Definition A pyrimidine compound having a 2-methoxy-4-(4-methylpiperazin-1-yl)anilino group at the 2-position, a 3-(acryloylamino)phenoxy group at the 4-position, and a chloro substituent at the 5-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H27ClN6O3 Net Charge 0 Average Mass 494.97300 Monoisotopic Mass 494.18332 InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) InChIKey ITTRLTNMFYIYPA-UHFFFAOYSA-N SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Roles Classification 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 via ChEBI Ontology ChEBI Ontology Outgoing WZ4002 (CHEBI:61400) has role antineoplastic agent (CHEBI:35610) WZ4002 (CHEBI:61400) has role tyrosine kinase inhibitor (CHEBI:38637) WZ4002 (CHEBI:61400) is a organochlorine compound (CHEBI:36683) WZ4002 (CHEBI:61400) is a piperazines (CHEBI:26144) WZ4002 (CHEBI:61400) is a pyrimidines (CHEBI:39447) IUPAC Name N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide Manual Xref Database LSM-1085 LINCS View more database links Citation Type Source 20033049 PubMed citation Europe PMC Last Modified 24 February 2016