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CHEBI:143127 - PDGF receptor tyrosine kinase inhibitor III

ChEBI IDCHEBI:143127
ChEBI NamePDGF receptor tyrosine kinase inhibitor III
Stars
DefinitionAn N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT.
Last Modified21 February 2019
SubmitterCeri
DownloadsMolfile
FormulaC27H27N5O4
Net Charge0
Average Mass485.544
Monoisotopic Mass485.20630
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC
InChIInChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
InChIKeyINTPTKHSGKBHHW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) is a N-arylpiperazine (CHEBI:46848)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) is a N-carbamoylpiperazine (CHEBI:46919)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) is a aromatic ether (CHEBI:35618)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) is a phenylureas (CHEBI:134043)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) is a quinazolines (CHEBI:38530)
PDGF receptor tyrosine kinase inhibitor III (CHEBI:143127) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
Synonyms  Source
PDGFR tyrosine kinase inhibitor IIIChEBI
N-(4-phenoxyphenyl)-4-(6,7-dimethoxyquinazoline-4-yl)piperazine-1-carboxamideChEBI
Registry NumbersSources
CAS:205254-94-0SUBMITTER
Citations