CHEBI:90237 - tandutinib

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ChEBI Name tandutinib
ChEBI ID CHEBI:90237
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H42N6O4
Net Charge 0
Average Mass 562.704
Monoisotopic Mass 562.327
InChI InChI=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)
InChIKey UXXQOJXBIDBUAC-UHFFFAOYSA-N
SMILES O(CCCN1CCCCC1)C=2C=C3N=CN=C(N4CCN(CC4)C(=O)NC5=CC=C(OC(C)C)C=C5)C3=CC2OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
tandutinib WHO MedNet
tandutinib WHO MedNet
tandutinib WHO MedNet
tandutinibum WHO MedNet
Synonyms Sources
(4-(6-methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamide ChemIDplus
CT 53518 ChEBI
CT-53518 ChEBI
CT53518 ChemIDplus
MLN 518 ChemIDplus
MLN-518 ChEBI
MLN518 ChEBI
Manual Xrefs Databases
D06005 KEGG DRUG
DB05465 DrugBank
LSM-5949 LINCS
View more database links
Registry Numbers Types Sources
387867-13-2 CAS Registry Number ChemIDplus
9241203 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12124172 PubMed citation Europe PMC
17962760 PubMed citation Europe PMC
18175263 PubMed citation Europe PMC
20711630 PubMed citation Europe PMC
22146535 PubMed citation Europe PMC
23427297 PubMed citation Europe PMC
23525656 PubMed citation Europe PMC
23619284 PubMed citation Europe PMC
Last Modified
10 December 2016