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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:venetoclax
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Accession:CHEBI:133021 term browser browse the term
Definition:A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.
Synonyms:exact_synonym: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
 related_synonym: ABT 199;   ABT199;   Formula=C45H50ClN7O7S;   GDC 0199;   InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54);   InChIKey=LQBVNQSMGBZMKD-UHFFFAOYSA-N;   SMILES=C1N(CCN(C1)C2=CC=C(C(NS(C3=CC=C(C(=C3)[N+](=O)[O-])NCC4CCOCC4)(=O)=O)=O)C(=C2)OC=5C=C6C(=NC5)NC=C6)CC=7CCC(CC7C=8C=CC(=CC8)Cl)(C)C;   Venclexta
 xref: CAS:1257044-40-8;   Drug_Central:5133;   KEGG:D10679
 xref_mesh: MESH:C579720
 xref: PMID:24794804;   PMID:25185206;   PMID:25658896;   PMID:25768998;   PMID:25829398;   PMID:25882699;   PMID:25957396;   PMID:26110568;   PMID:26467384;   PMID:26493374;   PMID:26516589;   PMID:26565405;   PMID:26589495;   PMID:26711339;   PMID:26927160;   PMID:26967820;   PMID:27030982;   PMID:27056887;   PMID:27092880;   PMID:27095788;   PMID:27103402;   PMID:27166183;   PMID:27283158;   PMID:27466751;   PMID:27480872;   Reaxys:20908256;   Wikipedia:Venetoclax


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        inhibitor 685
          B-cell lymphoma 2 inhibitor 0
            venetoclax 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        hydrogen molecular entity 4964
                          hydrides 4544
                            inorganic hydride 403
                              pnictogen hydride 399
                                nitrogen hydride 399
                                  azane 391
                                    ammonia 391
                                      organic amino compound 284
                                        tertiary amino compound 69
                                          N-alkylpiperazine 1
                                            venetoclax 0
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