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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:BI-2536
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Accession:CHEBI:49868 term browser browse the term
Definition:A member of the class of tetrahydropterins that is 7,8-dihydropteridin-6(5H)-one substituted by {2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino, methyl, ethyl, and cyclopentyl groups at positions 2, 5, 7R, and 8, respectively. It is a polo-like kinase 1 (PLK1) inhibitor with antineoplastic activity.
Synonyms:exact_synonym: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
 related_synonym: (R)-4-[(8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide;   4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide;   BI2536;   Formula=C28H39N7O3;   InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1;   InChIKey=XQVVPGYIWAGRNI-JOCHJYFZSA-N;   SMILES=CC[C@H]1N(C2CCCC2)C2=NC(NC3=C(OC)C=C(C=C3)C(=O)NC3CCN(C)CC3)=NC=C2N(C)C1=O
 xref: CAS:755038-02-9;   DrugBank:DB16107;   LINCS:LSM-1041
 xref_mesh: MESH:C518477
 xref: PDBeChem:R78;   PMID:17291761;   PMID:20886032;   PMID:21415595;   PMID:22080235;   PMID:22527426;   PMID:22745587;   PMID:23962445;   PMID:24519995;   PMID:25565629;   PMID:26191363;   PMID:28212994;   PMID:28531794;   PMID:28927329;   PMID:29476067;   PMID:31620231;   PMID:32231733;   PMID:33067313;   PMID:33222770;   PMID:35056094;   PMID:35644070;   PMID:36016611;   PMID:36054794;   PMID:36178637;   PMID:37477142;   PMID:37850387;   PMID:38072041;   PMID:38536443;   PMID:38691920


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BI-2536 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp8 caspase 8 increases activity ISO BI 2536 results in increased activity of CASP8 protein CTD PMID:24403256 NCBI chr 9:60,263,863...60,312,542
Ensembl chr 9:60,264,075...60,312,542 		JBrowse link
G Notch1 notch receptor 1 multiple interactions ISO BI 2536 inhibits the reaction [Arsenic Trioxide results in decreased expression of NOTCH1 protein]; BI 2536 inhibits the reaction [Nocodazole results in decreased expression of NOTCH1 protein] CTD PMID:31597699 NCBI chr 3:9,277,955...9,323,531
Ensembl chr 3:9,278,086...9,323,531 		JBrowse link
G Plk1 polo-like kinase 1 decreases activity
multiple interactions		 ISO BI 2536 results in decreased activity of PLK1 protein
BI 2536 inhibits the reaction [Arsenic Trioxide results in increased phosphorylation of PLK1 protein]		 CTD PMID:24748653 PMID:31597699 NCBI chr 1:176,716,420...176,726,400
Ensembl chr 1:176,716,420...176,726,400 		JBrowse link
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Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      biological role 19864
        biochemical role 19596
          apoptosis inducer 13651
            BI-2536 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            heteroorganic entity 19556
                              organochalcogen compound 19315
                                organooxygen compound 19205
                                  carbon oxoacid 18694
                                    carboxylic acid 18691
                                      carboacyl group 17723
                                        univalent carboacyl group 17723
                                          carbamoyl group 17576
                                            carboxamide 17576
                                              monocarboxylic acid amide 15748
                                                arenecarboxamide 8255
                                                  benzamides 8260
                                                    BI-2536 3
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