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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=CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3;   rucaparibum
 alt_id: CHEBI:94311
 xref: CAS:283173-50-2;   Chemspider:8107584;   DrugBank:DB12332;   KEGG:D10079;   LINCS:LSM-4947
 xref_mesh: MESH:C531549
 xref: PDBeChem:RPB;   PMID:24900770;   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;   PMID:28790837;   PMID:30830551;   PMID:30977683;   PMID:32121331;   PMID:32173049;   PMID:32241924;   PMID:32495160;   PMID:32717310;   PMID:32795228;   PMID:33053351;   PMID:33145877;   PMID:33332934;   PMID:33343988;   PMID:33369704;   PMID:33515503;   PMID:33752918;   PMID:33780687;   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 Bcl2l1 Bcl2-like 1 affects response to substance ISO BCL2L1 protein affects the susceptibility to rucaparib CTD PMID:32927276 NCBI chr 3:141,253,508...141,304,582
Ensembl chr 3:141,253,523...141,303,479
JBrowse link
G Brca1 BRCA1, DNA repair associated affects response to substance ISO BRCA1 protein affects the susceptibility to rucaparib CTD PMID:32927276 NCBI chr10:86,417,441...86,477,762
Ensembl chr10:86,418,000...86,477,304
JBrowse link
G Brd4 bromodomain containing 4 affects response to substance ISO BRD4 protein affects the susceptibility to rucaparib CTD PMID:32927276 NCBI chr 7:11,216,446...11,296,029
Ensembl chr 7:11,216,446...11,295,539
JBrowse link
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 chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
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 chr10:67,005,424...67,007,222
Ensembl chr10:67,005,424...67,007,226
JBrowse link
G Ccnd1 cyclin D1 multiple interactions ISO [rucaparib co-treated with Dasatinib] results in decreased expression of CCND1 protein CTD PMID:32927276 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602
JBrowse link
G Cdk9 cyclin-dependent kinase 9 affects response to substance ISO CDK9 protein affects the susceptibility to rucaparib CTD PMID:32927276 NCBI chr 3:15,996,467...16,001,315
Ensembl chr 3:15,996,468...16,002,410
JBrowse link
G H2ax H2A.X variant histone multiple interactions
affects expression
ISO [Irinotecan co-treated with rucaparib] results in increased expression of H2AX protein; [rucaparib co-treated with CPI-0610] results in increased expression of H2AX protein; [rucaparib co-treated with Dasatinib co-treated with CPI-0610] results in increased expression of H2AX protein; [rucaparib co-treated with Dasatinib] results in increased expression of H2AX protein
rucaparib affects the expression of H2AX protein
CTD PMID:30612311 PMID:32927276 NCBI chr 8:44,671,907...44,673,262
Ensembl chr 8:44,671,786...44,673,239
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 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
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 1:190,496,319...190,522,983
Ensembl chr 1:190,496,319...190,522,762
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 multiple interactions
decreases expression
ISO [rucaparib co-treated with Dasatinib co-treated with CPI-0610] results in increased cleavage of PARP1 protein; rucaparib binds to and results in decreased activity of PARP1 protein; rucaparib inhibits the reaction [Irinotecan results in increased expression of PARP1 protein]; rucaparib promotes the reaction [navitoclax results in increased cleavage of PARP1 protein]
rucaparib results in decreased expression of PARP1 protein
CTD PMID:28001384 PMID:30612311 PMID:32927276 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 decreases activity ISO rucaparib 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
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 chr10:71,323,777...71,367,908
Ensembl chr10:71,323,777...71,367,908
JBrowse link
G Src SRC proto-oncogene, non-receptor tyrosine kinase affects response to substance
increases phosphorylation
multiple interactions
ISO SRC protein affects the susceptibility to rucaparib
rucaparib results in increased phosphorylation of SRC protein
[rucaparib co-treated with Dasatinib] results in decreased phosphorylation of SRC protein
CTD PMID:32927276 NCBI chr 3:146,091,969...146,139,492
Ensembl chr 3:146,091,841...146,139,476
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 chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link
G Tnks2 tankyrase 2 affects binding ISO rucaparib binds to TNKS2 protein CTD PMID:28001384 NCBI chr 1:234,567,888...234,621,079
Ensembl chr 1:234,567,858...234,621,079
JBrowse link

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    role 19818
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          drug 19471
            antineoplastic agent 17769
              rucaparib 16
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  CHEBI ontology 19811
    subatomic particle 19809
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                          organic molecular entity 19705
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                              organochalcogen compound 19222
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                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              lactam 8380
                                                caprolactams 22
                                                  rucaparib 16
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