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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:IC-87114
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Accession:CHEBI:90686 term browser browse the term
Definition:A member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively.
Synonyms:exact_synonym: 2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
 related_synonym: Formula=C22H19N7O;   IC87114;   InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25);   InChIKey=GNWHRHGTIBRNSM-UHFFFAOYSA-N;   SMILES=N1(C(C=2C(=CC=CC2C)N=C1CN3C4=C(C(N)=NC=N4)N=C3)=O)C5=C(C)C=CC=C5
 xref: CAS:371242-69-2;   LINCS:LSM-5829
 xref_mesh: MESH:C477872
 xref: PDBeChem:IC8;   PMID:20081827;   PMID:25972311;   Reaxys:13928812



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IC-87114 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 multiple interactions
decreases phosphorylation
ISO IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of AKT1 protein]
IC 87114 results in decreased phosphorylation of AKT1 protein
CTD PMID:16179367 PMID:19176369 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
JBrowse link
G Csf2 colony stimulating factor 2 multiple interactions ISO IC 87114 inhibits the reaction [PTPN11 protein mutant form results in increased susceptibility to CSF2 protein] CTD PMID:22315502 NCBI chr10:38,386,945...38,388,926
Ensembl chr10:38,386,945...38,389,199
JBrowse link
G Foxo3 forkhead box O3 multiple interactions
decreases phosphorylation
ISO IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of FOXO3 protein]
IC 87114 results in decreased phosphorylation of FOXO3 protein
CTD PMID:16179367 NCBI chr20:45,669,708...45,764,606
Ensembl chr20:45,672,995...45,764,561
JBrowse link
G Gsk3a glycogen synthase kinase 3 alpha decreases phosphorylation ISO IC 87114 results in decreased phosphorylation of GSK3A protein CTD PMID:16179367 NCBI chr 1:80,815,843...80,825,732
Ensembl chr 1:80,815,850...80,825,802
JBrowse link
G Gsk3b glycogen synthase kinase 3 beta decreases phosphorylation ISO IC 87114 results in decreased phosphorylation of GSK3B protein CTD PMID:16179367 NCBI chr11:62,498,997...62,648,665
Ensembl chr11:62,504,316...62,648,646
JBrowse link
G Il10 interleukin 10 multiple interactions ISO IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in decreased secretion of IL10 protein] CTD PMID:33711354 NCBI chr13:42,472,625...42,477,308
Ensembl chr13:42,472,839...42,477,313
JBrowse link
G Il18 interleukin 18 multiple interactions ISO IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in increased secretion of IL18 protein] CTD PMID:33711354 NCBI chr 8:50,904,630...50,932,887
Ensembl chr 8:50,906,960...50,932,887
JBrowse link
G Il4 interleukin 4 multiple interactions ISO IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of AKT1 protein]; IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of FOXO3 protein]; IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of MAPK1 protein]; IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of MAPK3 protein]; IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in increased secretion of IL4 protein] CTD PMID:16179367 PMID:33711354 NCBI chr10:37,771,203...37,776,750
Ensembl chr10:37,771,203...37,776,750
JBrowse link
G Il5 interleukin 5 multiple interactions ISO IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in increased secretion of IL5 protein] CTD PMID:33711354 NCBI chr10:37,874,342...37,877,213
Ensembl chr10:37,874,342...37,877,213
JBrowse link
G Il6 interleukin 6 multiple interactions ISO IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in increased secretion of IL6 protein] CTD PMID:33711354 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions
decreases phosphorylation
ISO IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of MAPK1 protein]
IC 87114 results in decreased phosphorylation of MAPK1 protein
CTD PMID:16179367 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions
decreases phosphorylation
ISO IC 87114 inhibits the reaction [IL4 protein results in increased phosphorylation of MAPK3 protein]
IC 87114 results in decreased phosphorylation of MAPK3 protein
CTD PMID:16179367 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Pik3cd phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit delta decreases activity
multiple interactions
ISO IC 87114 results in decreased activity of PIK3CD protein
IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in increased expression of PIK3CD protein]
CTD PMID:16179367 PMID:33711354 NCBI chr 5:160,094,952...160,142,962
Ensembl chr 5:160,094,952...160,120,930
JBrowse link
G Pik3cg phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma multiple interactions ISO IC 87114 inhibits the reaction [Toluene 2,4-Diisocyanate results in increased expression of PIK3CG protein] CTD PMID:33711354 NCBI chr 6:48,766,778...48,802,098
Ensembl chr 6:48,766,864...48,802,043
JBrowse link
G Ptpn11 protein tyrosine phosphatase, non-receptor type 11 multiple interactions
increases response to substance
ISO IC 87114 inhibits the reaction [PTPN11 protein mutant form results in increased susceptibility to CSF2 protein]
PTPN11 protein mutant form results in increased susceptibility to IC 87114
CTD PMID:22315502 NCBI chr12:35,365,436...35,424,925
Ensembl chr12:35,383,144...35,424,925
JBrowse link
G Rps6kb1 ribosomal protein S6 kinase B1 decreases phosphorylation ISO IC 87114 results in decreased phosphorylation of RPS6KB1 protein CTD PMID:16179367 NCBI chr10:71,323,777...71,367,908
Ensembl chr10:71,323,777...71,367,908
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      atom 19799
        nonmetal atom 19686
          nitrogen atom 18767
            nitrogen molecular entity 18767
              organonitrogen compound 18544
                organonitrogen heterocyclic compound 17661
                  quinazolines 507
                    IC-87114 16
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organic heteropolycyclic compound 18043
                                    organic heterobicyclic compound 16859
                                      imidazopyrimidine 5618
                                        purines 5616
                                          aminopurine 4434
                                            6-aminopurines 809
                                              IC-87114 16
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