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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 20050
    role 20001
      biological role 20000
        biochemical role 19624
          Wnt signalling activator 22
            CHIR-98014 3
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  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    main group molecular entity 19948
                      s-block molecular entity 19735
                        hydrogen molecular entity 19727
                          hydrides 19093
                            inorganic hydride 17893
                              pnictogen hydride 17876
                                nitrogen hydride 17767
                                  azane 17517
                                    ammonia 17516
                                      organic amino compound 17516
                                        aromatic amine 14923
                                          aminopyridine 369
                                            diaminopyridine 6
                                              CHIR-98014 3
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