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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:PD158780
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Accession:CHEBI:92843 term browser browse the term
Definition:A pyridopyrimidine that is pyrido[3,4-d]pyrimidine-4,6-diamine in which the amino groups at positions 4 and 6 are substituted by a m-bromophenyl group and a methyl group, respectively. It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity [IC50 values of 0.008, 49 and 52 nM for EGFR, ErbB2 (HER2) and Erb4 (HER4)]. It does not inhibit FGF or PDGF-mediated tyrosine phosphorylation. Induces G1 cell cycle arrest in MCF10A cells and is antiproliferative in A431 human epidermal carcinoma cells.
Synonyms:exact_synonym: N(4)-(3-bromophenyl)-N(6)-methylpyrido[3,4-d]pyrimidine-4,6-diamine
 related_synonym: 4-(3-bromoanilino)-6-(methylamino)pyrido[3,4-d]pyrimidine;   4-(3-bromoanilino)-6-methylaminopyrido[3,4-d]pyrimidine;   4-[(3-bromophenyl)amino]-6-(methylamino)pyrido[3,4-d]pyrimidine;   Formula=C14H12BrN5;   InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20);   InChIKey=KFHMLBXBRCITHF-UHFFFAOYSA-N;   PD-158780;   SMILES=CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)Br
 xref: CAS:171179-06-9;   LINCS:LSM-3069;   PMID:10368634;   PMID:12548551;   PMID:15572027;   PMID:17079657;   PMID:22354538;   PMID:27988307;   PMID:9354588;   PMID:9513602;   PMID:9603960;   Reaxys:7487408


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  CHEBI ontology 19810
    role 19758
      application 19420
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          drug 19293
            antineoplastic agent 17004
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  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            inorganic hydride 17433
                              pnictogen hydride 17405
                                nitrogen hydride 17247
                                  azane 16964
                                    ammonia 16963
                                      organic amino compound 16962
                                        polyamine 8135
                                          diamine 8063
                                            PD158780 0
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