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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:sotrastaurin
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Accession:CHEBI:90531 term browser browse the term
Definition:A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.
Synonyms:exact_synonym: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione
 related_synonym: AEB-071;   AEB071;   Formula=C25H22N6O2;   InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);   InChIKey=OAVGBZOFDPFGPJ-UHFFFAOYSA-N;   SMILES=C1(=C(C2=CNC3=C2C=CC=C3)C(=O)NC1=O)C4=NC(N5CCN(CC5)C)=NC6=C4C=CC=C6;   sotrastaurina;   sotrastaurine;   sotrastaurinum
 xref: CAS:425637-18-9;   KEGG:D09671;   LINCS:LSM-42761
 xref_mesh: MESH:C543528
 xref: PDBeChem:LW4;   PMID:19491325;   PMID:19827831;   PMID:20003043;   PMID:20683390;   PMID:21142580;   PMID:21157403;   PMID:21324920;   PMID:21564523;   PMID:21883905;   PMID:25634538;   PMID:25677074;   Reaxys:13012870


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sotrastaurin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Prkcb protein kinase C, beta decreases activity
multiple interactions
ISO sotrastaurin results in decreased activity of PRKCB protein
sotrastaurin inhibits the reaction [docetaxel results in increased phosphorylation of PRKCB protein]
CTD PMID:25634538 NCBI chr 1:192,233,569...192,575,339
Ensembl chr 1:192,233,910...192,574,831
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Term Annotations click to browse term
  CHEBI ontology 19767
    role 19714
      biological role 19714
        immunomodulator 14903
          immunosuppressive agent 13718
            sotrastaurin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    p-block element atom 19657
                      carbon group element atom 19573
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      dicarboxylic acids and O-substituted derivatives 10289
                                        dicarboxylic acid 10281
                                          C4-dicarboxylic acid 813
                                            butenedioic acid 527
                                              maleic acid 503
                                                maleimides 150
                                                  sotrastaurin 1
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