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CHEBI:133397 - Ki11502

ChEBI IDCHEBI:133397
ChEBI NameKi11502
Stars
DefinitionA member of the class of quinolines that acts as a receptor tyrosine kinase inhibitor and apoptosis inducer with potential for use in treatment of leukemia and colorectal cancer.
Last Modified3 November 2016
SubmitterTheOtherDave
DownloadsMolfile
FormulaC26H23N3O4S
Net Charge0
Average Mass473.554
Monoisotopic Mass473.14093
SMILESCOc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)c2cc1OC
InChIInChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)
InChIKeyZXGIBSBJQLLUEE-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Ki11502 (CHEBI:133397) has role antineoplastic agent (CHEBI:35610)
Ki11502 (CHEBI:133397) has role apoptosis inducer (CHEBI:68495)
Ki11502 (CHEBI:133397) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
Ki11502 (CHEBI:133397) is a aromatic ether (CHEBI:35618)
Ki11502 (CHEBI:133397) is a benzamides (CHEBI:22702)
Ki11502 (CHEBI:133397) is a quinolines (CHEBI:26513)
Ki11502 (CHEBI:133397) is a thioureas (CHEBI:51276)
IUPAC Name 
N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-methylbenzamide
Synonyms  Source
N-(4-((6,7-dimethoxy-4-quinoyl)oxy)phenyl)-N'-(2-methylbenzoyl)thioureaSUBMITTER
PDGFR tyrosine kinase inhibitor VSUBMITTER
Registry NumbersSources
Reaxys:10488231Reaxys
CAS:347155-76-4SUBMITTER
Citations