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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:rucaparib
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Accession:CHEBI:134689 term browser browse the term
Definition:A member of the class of azepinoindoles that is 1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one carrying additional 4-[(methylamino)methyl]phenyl and fluoro substituents at positions 2 and 8 respectively. It is an inhibitor of poly (ADP-ribose) polymerase and is used (as the camsylate salt) as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation.
Synonyms:exact_synonym: 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one
 related_synonym: AG-14447;   Formula=C19H18FN3O;   InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);   InChIKey=HMABYWSNWIZPAG-UHFFFAOYSA-N;   SMILES=C1(=CC2=C3C(=C1)NC(=C3CCNC2=O)C4=CC=C(C=C4)CNC)F
 xref: CAS:283173-50-2;   KEGG:D10079
 xref_mesh: MESH:C531549
 xref: PDBeChem:RPB;   PMID:25689628;   PMID:26438157;   PMID:27002934;   PMID:27087632;   PMID:27128213;   PMID:27228289;   PMID:27415012;   PMID:27515310;   PMID:27600766;   PMID:27702817;   PMID:27716873;   PMID:27866910;   PMID:27908594;   PMID:27940438;   PMID:28001384;   PMID:28057616;   PMID:28069724;   PMID:28205191;   Reaxys:11556434;   Wikipedia:Rucaparib
 cyclic_relationship: is_conjugate_base_of CHEBI:134695


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rucaparib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 increases expression
multiple interactions
ISO rucaparib results in increased expression of CASP3 protein
[Irinotecan co-treated with rucaparib] results in increased expression of CASP3 protein
CTD PMID:30612311 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 multiple interactions ISO rucaparib inhibits the reaction [Ethanol results in increased expression of CCL2 protein] CTD PMID:29317476 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Il6 interleukin 6 multiple interactions ISO rucaparib inhibits the reaction [Ethanol results in increased expression of IL6 protein] CTD PMID:29317476 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
JBrowse link
G Mki67 marker of proliferation Ki-67 multiple interactions ISO [Irinotecan co-treated with rucaparib] results in decreased expression of MKI67 protein CTD PMID:30612311 NCBI chr 1:207,993,895...208,020,454
Ensembl chr 1:207,993,895...208,020,454
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 multiple interactions
decreases expression
ISO rucaparib binds to and results in decreased activity of PARP1 protein; rucaparib inhibits the reaction [Irinotecan results in increased expression of PARP1 protein]
rucaparib results in decreased expression of PARP1 protein
CTD PMID:28001384 PMID:30612311 NCBI chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716
JBrowse link
G Parp2 poly (ADP-ribose) polymerase 2 decreases activity ISO rucaparib results in decreased activity of PARP2 protein CTD PMID:28001384 NCBI chr15:27,739,416...27,749,650
Ensembl chr15:27,739,251...27,749,648
JBrowse link
G Rps6kb1 ribosomal protein S6 kinase B1 multiple interactions ISO [Irinotecan co-treated with rucaparib] results in decreased expression of RPS6KB1 protein CTD PMID:30612311 NCBI chr10:73,824,200...73,865,503
Ensembl chr10:73,824,202...73,865,364
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO rucaparib inhibits the reaction [Ethanol results in increased expression of TNF protein] CTD PMID:29317476 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link
G Tnks2 tankyrase 2 affects binding ISO rucaparib binds to TNKS2 protein CTD PMID:28001384 NCBI chr 1:255,478,794...255,532,143
Ensembl chr 1:255,479,261...255,532,143
JBrowse link

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  CHEBI ontology 19770
    role 19720
      application 19411
        pharmaceutical 19299
          drug 19299
            antineoplastic agent 17257
              rucaparib 9
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      carboxylic acid 18158
                                        carboacyl group 17412
                                          univalent carboacyl group 17412
                                            carbamoyl group 17208
                                              carboxamide 17208
                                                lactam 8048
                                                  caprolactams 14
                                                    rucaparib 9
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