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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:CHIR-98014
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Accession:CHEBI:167657 term browser browse the term
Definition:A member of the class of aminopyrimidines that is pyrimidine substituted by {2-[(6-amino-5-nitropyridin-2-yl)amino]ethyl}amino, 2,4-dichlorophenyl, and 1H-imidazol-1-yl groups at positions 2, 4 and 5, respectively. It is a potent ATP-competitive inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.65 and 0.58 nM, respectively).
Synonyms:exact_synonym: N(6)-(2-{[4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-yl]amino}ethyl)-3-nitropyridine-2,6-diamine
 related_synonym: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine;   CHIR98014;   Formula=C20H17Cl2N9O2;   InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29);   InChIKey=MDZCSIDIPDZWKL-UHFFFAOYSA-N;   N-6-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)-2-pyrimidinyl]amino]ethyl]-3-nitro-2,6-pyridinediamine;   SMILES=NC1=C(C=CC(NCCNC2=NC=C(N3C=CN=C3)C(=N2)C2=C(Cl)C=C(Cl)C=C2)=N1)[N+]([O-])=O
 xref: CAS:252935-94-7;   Chemspider:27445282
 xref_mesh: MESH:C473710
 xref: PMID:12606497;   PMID:24779365;   PMID:26149502;   PMID:29016121;   PMID:29436606;   PMID:29842899;   PMID:30662679;   PMID:31540917;   PMID:32236757;   PMID:33667649


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CHIR-98014 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nanog Nanog homeobox decreases expression ISO Chir 98014 results in decreased expression of NANOG mRNA CTD PMID:22723015 NCBI chr 4:155,531,906...155,539,268
Ensembl chr 4:155,531,906...155,539,268
JBrowse link
G Otx2 orthodenticle homeobox 2 decreases expression ISO Chir 98014 results in decreased expression of OTX2 mRNA CTD PMID:22723015 NCBI chr15:25,500,037...25,511,619
Ensembl chr15:25,502,019...25,505,691
Ensembl chr15:25,502,019...25,505,691
JBrowse link
G Pax6 paired box 6 decreases expression ISO Chir 98014 results in decreased expression of PAX6 mRNA CTD PMID:22723015 NCBI chr 3:95,700,241...95,728,682
Ensembl chr 3:95,707,386...95,728,624
JBrowse link

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  CHEBI ontology 19771
    role 19716
      biological role 19716
        biochemical role 19304
          Wnt signalling activator 3
            CHIR-98014 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    main group molecular entity 19658
                      s-block molecular entity 19423
                        hydrogen molecular entity 19416
                          hydrides 18755
                            inorganic hydride 17460
                              pnictogen hydride 17435
                                nitrogen hydride 17281
                                  azane 17017
                                    ammonia 17016
                                      organic amino compound 17015
                                        aromatic amine 13682
                                          aminopyridine 366
                                            diaminopyridine 6
                                              CHIR-98014 3
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