CHEBI:132268 - dacomitinib

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ChEBI Name dacomitinib
Definition A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H25ClFN5O2
Net Charge 0
Average Mass 469.940
Monoisotopic Mass 469.168
InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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): epidermal growth factor receptor antagonist
An antagonist at the epidermal growth factor receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing dacomitinib (CHEBI:132268) has role antineoplastic agent (CHEBI:35610)
dacomitinib (CHEBI:132268) has role epidermal growth factor receptor antagonist (CHEBI:74440)
dacomitinib (CHEBI:132268) is a enamide (CHEBI:51751)
dacomitinib (CHEBI:132268) is a monochlorobenzenes (CHEBI:83403)
dacomitinib (CHEBI:132268) is a monofluorobenzenes (CHEBI:83575)
dacomitinib (CHEBI:132268) is a piperidines (CHEBI:26151)
dacomitinib (CHEBI:132268) is a quinazolines (CHEBI:38530)
dacomitinib (CHEBI:132268) is a secondary amino compound (CHEBI:50995)
dacomitinib (CHEBI:132268) is a secondary carboxamide (CHEBI:140325)
dacomitinib (CHEBI:132268) is a tertiary amino compound (CHEBI:50996)
INNs Sources
dacomitinib WHO MedNet
dacomitinib WHO MedNet
dacomitinib WHO MedNet
dacomitinibum WHO MedNet
Synonyms Sources
PF 00299804-03 ChemIDplus
PF-00299804 ChEBI
PF-00299804-03 ChemIDplus
Manual Xrefs Databases
1C9 PDBeChem
Dacomitinib Wikipedia
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Registry Numbers Types Sources
1110813-31-4 CAS Registry Number ChemIDplus
12400147 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22753918 PubMed citation Europe PMC
22761403 PubMed citation Europe PMC
24853121 PubMed citation Europe PMC
25669172 PubMed citation Europe PMC
26179237 PubMed citation Europe PMC
26768165 PubMed citation Europe PMC
26792360 PubMed citation Europe PMC
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Last Modified
07 March 2018