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BI-4020 - Ontology Report - Rat Genome Database

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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:BI-4020
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Accession:CHEBI:232716 term browser browse the term
Definition:A macrocycle with formula C30H38N8O2. It is a potent inhibitor of triple mutant EGFR(del19 T790M C797S) variant and shows efficacy for regressing tumor xenografts in vivo.
Synonyms:exact_synonym: [10(10a)E,18R]-1,6,18-trimethyl-14-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-1H,17H-8,4-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-9(11H)-one
 related_synonym: BI4020;   Formula=C30H38N8O2;   InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1;   InChIKey=AIQBYZOTCIQTGW-HXUWFJFHSA-N;   SMILES=C[C@@H]1CCCOC2=C(C=NN2C)C2=CC(=CC(C)=N2)C(=O)\\N=C2/NC3=C(C=C(CN4CCN(C)CC4)C=C3)N2C1
 xref: CAS:2664214-60-0;   PDBeChem:XA4;   PMID:31689114;   PMID:36384036;   PMID:37588756;   PMID:38396251;   PMID:38523074;   PMID:39061985;   PMID:39246743;   PMID:39262457

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  CHEBI ontology 20845
    role 20805
      application 20606
        pharmaceutical 20401
          drug 20401
            antineoplastic agent 18041
              BI-4020 0
Path 2
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  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            heteroorganic entity 20202
                              organochalcogen compound 19890
                                organooxygen compound 19792
                                  carbon oxoacid 19137
                                    carboxylic acid 19134
                                      carboacyl group 18064
                                        univalent carboacyl group 18064
                                          carbamoyl group 17899
                                            carboxamide 17899
                                              pyridinecarboxamide 352
                                                BI-4020 0
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