CHEBI:90828 - CHZ868

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ChEBI Name CHZ868
ChEBI ID CHEBI:90828
Definition A memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C22H19F2N5O2
Net Charge 0
Average Mass 423.416
Monoisotopic Mass 423.15068
InChI InChI=1S/C22H19F2N5O2/c1-12-19(31-15-8-9-25-20(11-15)26-13(2)30)7-6-18-21(12)28-22(29(18)3)27-17-5-4-14(23)10-16(17)24/h4-11H,1-3H3,(H,27,28)(H,25,26,30)
InChIKey KQQLBXFPTDVFAJ-UHFFFAOYSA-N
SMILES C12=C(C(=CC=C1N(C(=N2)NC=3C(=CC(=CC3)F)F)C)OC=4C=CN=C(C4)NC(C)=O)C
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 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CHZ868 (CHEBI:90828) has role antineoplastic agent (CHEBI:35610)
CHZ868 (CHEBI:90828) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
CHZ868 (CHEBI:90828) is a acetamides (CHEBI:22160)
CHZ868 (CHEBI:90828) is a aromatic amine (CHEBI:33860)
CHZ868 (CHEBI:90828) is a aromatic ether (CHEBI:35618)
CHZ868 (CHEBI:90828) is a benzimidazoles (CHEBI:22715)
CHZ868 (CHEBI:90828) is a difluorobenzene (CHEBI:38582)
CHZ868 (CHEBI:90828) is a pyridines (CHEBI:26421)
CHZ868 (CHEBI:90828) is a secondary amino compound (CHEBI:50995)
IUPAC Name
N-(4-{[2-(2,4-difluoroanilino)-1,4-dimethyl-1H-benzimidazol-5-yl]oxy}pyridin-2-yl)acetamide
Synonyms Sources
CHZ 868 ChEBI
CHZ-868 ChEBI
N-[4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-1,4-dimethyl-benzimidazol-5-yl]oxypyridin-2-yl]ethanamide ChEBI
Citations Waiting for Citations Types Sources
26175413 PubMed citation SUBMITTER
26175414 PubMed citation Europe PMC
26432382 PubMed citation Europe PMC
Last Modified
05 January 2016