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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 chr20:5,609,620...5,618,899
Ensembl chr20:5,609,625...5,618,260
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 1:101,451,801...101,457,207
Ensembl chr 1:101,451,802...101,457,207
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 chr10:106,856,097...106,864,419
Ensembl chr10:106,856,097...106,864,413
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 chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Casp9 caspase 9 increases cleavage ISO navitoclax results in increased cleavage of CASP9 protein CTD PMID:21562047 PMID:28947240 NCBI chr 5:160,356,211...160,373,774
Ensembl chr 5:160,355,833...160,373,778
JBrowse link
G Gsn gelsolin increases cleavage ISO navitoclax results in increased cleavage of GSN protein CTD PMID:21562047 NCBI chr 3:14,456,106...14,508,922
Ensembl chr 3:14,467,330...14,508,911
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 5:165,263,813...165,373,967
Ensembl chr 5:165,263,800...165,373,967
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 chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        inhibitor 18281
          B-cell lymphoma 2 inhibitor 10
            navitoclax 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    main group molecular entity 19744
                      s-block molecular entity 19491
                        hydrogen molecular entity 19483
                          hydrides 18748
                            inorganic hydride 17481
                              pnictogen hydride 17454
                                nitrogen hydride 17296
                                  azane 17015
                                    ammonia 17014
                                      organic amino compound 17013
                                        secondary amino compound 6541
                                          navitoclax 8
paths to the root