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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 4:155,943,737...155,951,116
Ensembl chr 4:155,943,737...155,951,116 		JBrowse link
G Otx2 orthodenticle homeobox 2 decreases expression ISO Chir 98014 results in decreased expression of OTX2 mRNA CTD PMID:22723015 NCBI chr15:21,942,233...21,953,034
Ensembl chr15:21,943,191...21,953,416 		JBrowse link
G Pax6 paired box 6 decreases expression ISO Chir 98014 results in decreased expression of PAX6 mRNA CTD PMID:22723015 NCBI chr 3:92,128,772...92,157,022
Ensembl chr 3:92,135,637...92,157,014 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19876
    role 19851
      biological role 19849
        activator 103
          Wnt signalling activator 23
            CHIR-98014 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19876
    subatomic particle 19874
      composite particle 19874
        hadron 19874
          baryon 19874
            nucleon 19874
              atomic nucleus 19905
                atom 19905
                  main group element atom 19821
                    main group molecular entity 19821
                      s-block molecular entity 19655
                        hydrogen molecular entity 19644
                          hydrides 19127
                            inorganic hydride 18102
                              pnictogen hydride 18090
                                nitrogen hydride 17995
                                  azane 17795
                                    ammonia 17794
                                      organic amino compound 17794
                                        aromatic amine 15396
                                          aminopyridine 507
                                            diaminopyridine 6
                                              CHIR-98014 3
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