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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

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  CHEBI ontology 19918
    role 19894
      biological role 19892
        activator 107
          Wnt signalling activator 22
            CHIR-98014 3
Path 2
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  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    main group molecular entity 19866
                      s-block molecular entity 19698
                        hydrogen molecular entity 19684
                          hydrides 19159
                            inorganic hydride 18151
                              pnictogen hydride 18140
                                nitrogen hydride 18046
                                  azane 17849
                                    ammonia 17848
                                      organic amino compound 17848
                                        aromatic amine 15440
                                          aminopyridine 509
                                            diaminopyridine 6
                                              CHIR-98014 3
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