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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:2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide
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Accession:CHEBI:177298 term browser browse the term
Definition:A member of the class of indazoles that is 2H-indazole substituted by 4-(piperidin-3-yl)phenyl and aminocarbonyl groups at positions 2 and 7, respectively. It is a potent PARP1 inhibitor with IC50 of 3.2 nM.
Synonyms:related_synonym: Formula=C19H20N4O;   InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);   InChIKey=PCHKPVIQAHNQLW-UHFFFAOYSA-N;   SMILES=NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)C1CCCNC1
 xref: PMID:25761096



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niraparib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Parp1 poly (ADP-ribose) polymerase 1 multiple interactions ISO niraparib binds to and results in decreased activity of PARP1 protein CTD PMID:28001384 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404
JBrowse link
G Parp2 poly (ADP-ribose) polymerase 2 multiple interactions ISO niraparib binds to and results in decreased activity of PARP2 protein CTD PMID:28001384 NCBI chr15:24,034,069...24,044,340
Ensembl chr15:24,034,106...24,044,338
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      application 19546
        pharmaceutical 19425
          drug 19425
            antineoplastic agent 17627
              2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide 2
                2-\{4-[(3R)-piperidin-3-yl]phenyl\}-2H-indazole-7-carboxamide 0
                niraparib 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18798
                                    carbonyl compound 18798
                                      carboxylic acid 18518
                                        carboacyl group 17656
                                          univalent carboacyl group 17656
                                            carbamoyl group 17497
                                              carboxamide 17497
                                                primary carboxamide 5953
                                                  2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide 2
                                                    2-\{4-[(3R)-piperidin-3-yl]phenyl\}-2H-indazole-7-carboxamide 0
                                                    niraparib 2
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