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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 19773
    role 19719
      biological role 19719
        biochemical role 19312
          Wnt signalling activator 3
            CHIR-98014 3
Path 2
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  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19426
                        hydrogen molecular entity 19420
                          hydrides 18753
                            inorganic hydride 17457
                              pnictogen hydride 17433
                                nitrogen hydride 17280
                                  azane 17015
                                    ammonia 17014
                                      organic amino compound 17013
                                        aromatic amine 13684
                                          aminopyridine 365
                                            diaminopyridine 6
                                              CHIR-98014 3
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