EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167653 - AZD3463

ChEBI IDCHEBI:167653
ChEBI NameAZD3463
Stars
DefinitionA member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK.
Last Modified15 March 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC24H25ClN6O
Net Charge0
Average Mass448.958
Monoisotopic Mass448.17784
SMILESCOc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccc23)n1
InChIInChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
InChIKeyGCYIGMXOIWJGBU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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).
autophagy inducer  Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AZD3463 (CHEBI:167653) has role antineoplastic agent (CHEBI:35610)
AZD3463 (CHEBI:167653) has role apoptosis inducer (CHEBI:68495)
AZD3463 (CHEBI:167653) has role autophagy inducer (CHEBI:138880)
AZD3463 (CHEBI:167653) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
AZD3463 (CHEBI:167653) is a aminopiperidine (CHEBI:48588)
AZD3463 (CHEBI:167653) is a aminopyrimidine (CHEBI:38338)
AZD3463 (CHEBI:167653) is a indoles (CHEBI:24828)
AZD3463 (CHEBI:167653) is a monomethoxybenzene (CHEBI:25235)
AZD3463 (CHEBI:167653) is a organochlorine compound (CHEBI:36683)
AZD3463 (CHEBI:167653) is a secondary amino compound (CHEBI:50995)
AZD3463 (CHEBI:167653) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
Synonyms  Source
N-[4-(4-amino-1-piperidinyl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)-2-pyrimidinamineChEBI
AZD-3463ChEBI
AZD 3463ChEBI
Manual XrefsDatabases
29315067ChemSpider
Registry NumbersSources
CAS:1356962-20-3ChEBI
Citations