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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 1:176,832,173...177,163,539
Ensembl chr 1:176,832,226...177,163,536
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  CHEBI ontology 20072
    role 20024
      biological role 20023
        immunomodulator 14958
          immunosuppressive agent 13778
            sotrastaurin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20072
    subatomic particle 20071
      composite particle 20071
        hadron 20071
          baryon 20071
            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19894
                        carbon atom 19887
                          organic molecular entity 19887
                            organic group 18965
                              organic divalent group 18951
                                organodiyl group 18951
                                  carbonyl group 18903
                                    carbonyl compound 18903
                                      dicarboxylic acids and O-substituted derivatives 10401
                                        dicarboxylic acid 10395
                                          C4-dicarboxylic acid 941
                                            butenedioic acid 604
                                              maleic acid 576
                                                maleimides 155
                                                  sotrastaurin 1
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