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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:navitoclax
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Accession:CHEBI:131174 term browser browse the term
Definition:A N-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of 4-{4-[(4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro[biphenyl]-2-yl)methyl]piperazin-1-yl}benzoic acid with the amino group of 4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide. It is a BH3-mimetic drug which targets the anti-apoptotic B-cell lymphoma-2 (BCL-2) family proteins, including BCL-2, BCL-xL, and BCL-w, and induces apoptosis in cancer cells. Currently under clinical investigation as treatment for solid tumors and hematologic malignancies.
Synonyms:exact_synonym: 4-{4-[(4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
 related_synonym: A-855071.0;   ABT 263;   ABT263;   Formula=C47H55ClF3N5O6S3;   InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1;   InChIKey=JLYAXFNOILIKPP-KXQOOQHDSA-N;   SMILES=CC1(C)CCC(=C(CN2CCN(CC2)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C2=CC(=C(N[C@H](CCN3CCOCC3)CSC3=CC=CC=C3)C=C2)S(=O)(=O)C(F)(F)F)C1)C1=CC=C(Cl)C=C1;   navitoclaxum
 alt_id: CHEBI:94128
 xref: CAS:923564-51-6;   Chemspider:21864722;   DrugBank:DB12340;   KEGG:D09935;   LINCS:LSM-42776;   LINCS:LSM-4738
 xref_mesh: MESH:C528561
 xref: PDBeChem:1XJ;   PMCID:PMC6011937;   PMID:18085673;   PMID:23291630;   PMID:26575826;   PMID:26958630;   PMID:28713162;   PMID:28947240;   PMID:29156797;   PMID:29237758;   PMID:29580266;   PMID:29753379;   PMID:29913235;   PMID:30224339;   PMID:30614795;   PMID:30721730;   PMID:30919222;   PMID:31276572;   PMID:31367332;   PMID:31399555;   PMID:31459977;   PMID:32247610;   PMID:32337074;   PMID:32446890;   PMID:32509782;   PMID:32611834;   PMID:32652830;   PMID:32675749;   PMID:32687646;   Wikipedia:Navitoclax



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navitoclax term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bak1 BCL2-antagonist/killer 1 multiple interactions ISO [navitoclax co-treated with Vorinostat] affects the activity of BAK1 protein CTD PMID:21652541 NCBI chr20:5,100,480...5,109,669
Ensembl chr20:5,100,480...5,109,264
JBrowse link
G Bax BCL2 associated X, apoptosis regulator multiple interactions ISO [navitoclax co-treated with Vorinostat] affects the activity of BAX protein CTD PMID:21652541 NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
JBrowse link
G Birc5 baculoviral IAP repeat-containing 5 decreases expression
multiple interactions
ISO navitoclax results in decreased expression of BIRC5 protein
[MTOR protein affects the susceptibility to navitoclax] which affects the expression of BIRC5 protein; navitoclax promotes the reaction [Everolimus results in decreased expression of BIRC5 protein]
CTD PMID:28947240 NCBI chr10:103,072,530...103,081,382
Ensembl chr10:103,073,408...103,081,380
JBrowse link
G Casp3 caspase 3 increases cleavage
multiple interactions
ISO navitoclax results in increased cleavage of CASP3 protein
[navitoclax co-treated with Vorinostat] results in increased activity of CASP3 protein
CTD PMID:21562047 PMID:21652541 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Casp9 caspase 9 increases cleavage ISO navitoclax results in increased cleavage of CASP9 protein CTD PMID:21562047 PMID:28947240 NCBI chr 5:154,108,872...154,126,628
Ensembl chr 5:154,109,046...154,126,626
JBrowse link
G Gsn gelsolin increases cleavage ISO navitoclax results in increased cleavage of GSN protein CTD PMID:21562047 NCBI chr 3:18,585,166...18,638,404
Ensembl chr 3:18,585,172...18,638,402
JBrowse link
G Mtor mechanistic target of rapamycin kinase affects response to substance
multiple interactions
ISO MTOR protein affects the susceptibility to navitoclax
[MTOR protein affects the susceptibility to navitoclax] which affects the cleavage of PARP1 protein; [MTOR protein affects the susceptibility to navitoclax] which affects the expression of BIRC5 protein
CTD PMID:28947240 NCBI chr 5:158,884,856...158,994,311
Ensembl chr 5:158,884,804...158,994,311
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 multiple interactions
increases cleavage
ISO [MTOR protein affects the susceptibility to navitoclax] which affects the cleavage of PARP1 protein; [navitoclax co-treated with Everolimus] results in increased cleavage of PARP1 protein
navitoclax results in increased cleavage of PARP1 protein
CTD PMID:28947240 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      biological role 19711
        inhibitor 18755
          B-cell lymphoma 2 inhibitor 40
            navitoclax 8
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
                    main group molecular entity 19686
                      s-block molecular entity 19541
                        hydrogen molecular entity 19534
                          hydrides 19019
                            inorganic hydride 17950
                              pnictogen hydride 17935
                                nitrogen hydride 17832
                                  azane 17616
                                    ammonia 17615
                                      organic amino compound 17615
                                        secondary amino compound 6744
                                          navitoclax 8
paths to the root