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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

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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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                  main group element atom 19696
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                      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
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                                            PD158780 0
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