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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:Crenigacestat
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Accession:CHEBI:232469 term browser browse the term
Definition:Crenigacestat (LY3039478) is an orally active Notch and g-secretase inhibitor, with an IC50 of 1 nM in most of the tumor cell lines tested.
Synonyms:related_synonym: LY3039478;   N-[(1S)-2-[[(7S)-6,7-dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido[3,2-a][3]benzazepin-7-yl]amino]-1-methyl-2-oxoethyl]-4,4,4-trifluoro-butanamide
 xref: CAS:1421438-81-4
 xref_mesh: MESH:C000654634
 chemrof_formula: C22H23F3N4O4
 chemrof_smiles: C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
 chemrof_inchi: InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1
 chemrof_inchikey: YCBAQKQAINQRFW-UGSOOPFHSA-N


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Crenigacestat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chuk component of inhibitor of nuclear factor kappa B kinase complex multiple interactions ISO crenigacestat inhibits the reaction [Homoharringtonine results in increased phosphorylation of CHUK protein] CTD PMID:31307525 NCBI chr 1:252,908,748...252,944,273
Ensembl chr 1:252,908,749...252,944,273 		JBrowse link
G Ep300 E1A binding protein p300 multiple interactions ISO crenigacestat affects the reaction [Aconitine affects the expression of EP300 protein] CTD PMID:32234357 NCBI chr 7:114,987,857...115,058,652
Ensembl chr 7:114,946,982...115,058,574 		JBrowse link
G Hcn4 hyperpolarization activated cyclic nucleotide-gated potassium channel 4 multiple interactions EXP crenigacestat affects the reaction [Aconitine affects the expression of HCN4 protein] CTD PMID:32234357 NCBI chr 8:68,118,062...68,155,482
Ensembl chr 8:68,118,062...68,155,495 		JBrowse link
G Hes1 hes family bHLH transcription factor 1 multiple interactions ISO
EXP 		crenigacestat inhibits the reaction [Aconitine results in increased expression of HES1 protein] CTD PMID:32234357 NCBI chr11:84,210,632...84,213,045
Ensembl chr11:84,210,633...84,213,061 		JBrowse link
G Kdm5a lysine demethylase 5A multiple interactions ISO crenigacestat inhibits the reaction [Aconitine results in increased expression of KDM5A protein] CTD PMID:32234357 NCBI chr 4:155,238,124...155,316,121
Ensembl chr 4:155,238,044...155,316,121 		JBrowse link
G Notch1 notch receptor 1 multiple interactions ISO
EXP 		crenigacestat affects the reaction [Aconitine affects the expression of NOTCH1 protein]; crenigacestat inhibits the reaction [Aconitine results in increased expression of NOTCH1 protein modified form] CTD PMID:32234357 NCBI chr 3:29,676,040...29,721,613
Ensembl chr 3:29,676,171...29,721,613 		JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO crenigacestat inhibits the reaction [Homoharringtonine results in increased expression of RELA protein] CTD PMID:31307525 NCBI chr 1:212,354,336...212,364,815
Ensembl chr 1:212,333,035...212,364,817 		JBrowse link
G Tp53 tumor protein p53 multiple interactions ISO crenigacestat inhibits the reaction [Homoharringtonine results in increased expression of TP53 protein] CTD PMID:31307525 NCBI chr10:54,798,871...54,810,300
Ensembl chr10:54,798,851...54,810,299 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    chemical entity 20872
      atom 20872
        nonmetal atom 20781
          carbon atom 20706
            organic molecular entity 20706
              Crenigacestat 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            Crenigacestat 8
paths to the root