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CHEBI:90237 - tandutinib

ChEBI IDCHEBI:90237
ChEBI Nametandutinib
Stars
DefinitionAn N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT.
Last Modified10 December 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H42N6O4
Net Charge0
Average Mass562.715
Monoisotopic Mass562.32675
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
InChIKeyUXXQOJXBIDBUAC-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).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tandutinib (CHEBI:90237) has role antineoplastic agent (CHEBI:35610)
tandutinib (CHEBI:90237) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
tandutinib (CHEBI:90237) is a N-arylpiperazine (CHEBI:46848)
tandutinib (CHEBI:90237) is a N-carbamoylpiperazine (CHEBI:46919)
tandutinib (CHEBI:90237) is a aromatic ether (CHEBI:35618)
tandutinib (CHEBI:90237) is a phenylureas (CHEBI:134043)
tandutinib (CHEBI:90237) is a piperidines (CHEBI:26151)
tandutinib (CHEBI:90237) is a quinazolines (CHEBI:38530)
tandutinib (CHEBI:90237) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide
INNs  Source
tandutinibWHO MedNet
tandutinibumWHO MedNet
tandutinibWHO MedNet
tandutinibWHO MedNet
Synonyms  Source
CT-53518ChEBI
MLN-518ChEBI
MLN518ChEBI
CT53518ChemIDplus
(4-(6-methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamideChemIDplus
CT 53518ChEBI
Manual XrefsDatabases
D06005KEGG DRUG
DB05465DrugBank
LSM-5949LINCS
Registry NumbersSources
Reaxys:9241203Reaxys
CAS:387867-13-2ChemIDplus
Citations