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CHEBI:233402 - zipalertinib

ChEBI IDCHEBI:233402
ChEBI Namezipalertinib
Stars
DefinitionA member of the class of acrylamides that is (8S)-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine in which the amino group at position 8S is substituted by an acryloyl group. It a covalent epidermal growth factor receptor inhibitor that targets exon 20 insertion mutations.
Last Modified4 February 2025
SubmitterAdnan
DownloadsMolfile
FormulaC23H20N6O
Net Charge0
Average Mass396.454
Monoisotopic Mass396.16986
SMILESC=CC(=O)N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
InChIKeyMKCYPWYURWOKST-INIZCTEOSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
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)
zipalertinib (CHEBI:233402) has role antineoplastic agent (CHEBI:35610)
zipalertinib (CHEBI:233402) has role apoptosis inducer (CHEBI:68495)
zipalertinib (CHEBI:233402) has role epidermal growth factor receptor antagonist (CHEBI:74440)
zipalertinib (CHEBI:233402) is a acrylamides (CHEBI:22216)
zipalertinib (CHEBI:233402) is a aromatic amine (CHEBI:33860)
zipalertinib (CHEBI:233402) is a organic heterotricyclic compound (CHEBI:26979)
zipalertinib (CHEBI:233402) is a primary amino compound (CHEBI:50994)
zipalertinib (CHEBI:233402) is a quinolines (CHEBI:26513)
zipalertinib (CHEBI:233402) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-[(8S)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
INNs  Source
zipalertinibWHO MedNet
zipalertinibumWHO MedNet
zipalertinibWHO MedNet
zipalertinibWHO MedNet
Synonyms  Source
TAS-6417ChEBI
CLN 081ChEBI
CLN-081ChEBI
TAS 6417ChEBI
CLN081ChEBI
TAS6417ChEBI
Manual XrefsDatabases
DB18763DrugBank
ZipalertinibWikipedia
X9HPDBeChem
Registry NumbersSources
CAS:1661854-97-2ChEBI
Citations