CHEBI:61400 - WZ4002

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 ChemicalBook:CB52501012, eMolecules:32176501, Selleckchem:WZ4002, ZINC000052509385
Download Molfile XML SDF
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
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Citation
Last Modified
24 February 2016