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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 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            antineoplastic agent 17359
              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 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                primary carboxamide 5908
                                                  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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