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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 Avp arginine vasopressin multiple interactions ISO sotrastaurin inhibits the reaction [Raloxifene Hydrochloride results in decreased expression of AVP mRNA]; sotrastaurin inhibits the reaction [Selective Estrogen Receptor Modulators results in decreased expression of AVP mRNA] CTD PMID:26200092 NCBI chr 3:138,246,544...138,248,522
Ensembl chr 3:138,246,554...138,248,522 		JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO sotrastaurin inhibits the reaction [Raloxifene Hydrochloride results in increased phosphorylation of MAPK1 protein]; sotrastaurin inhibits the reaction [Selective Estrogen Receptor Modulators results in increased phosphorylation of MAPK1 protein] CTD PMID:26200092 NCBI chr11:97,462,025...97,529,193
Ensembl chr11:97,462,025...97,527,825 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO sotrastaurin inhibits the reaction [Raloxifene Hydrochloride results in increased phosphorylation of MAPK3 protein]; sotrastaurin inhibits the reaction [Selective Estrogen Receptor Modulators results in increased phosphorylation of MAPK3 protein] CTD PMID:26200092 NCBI chr 1:190,797,189...190,803,411
Ensembl chr 1:190,797,185...190,803,411 		JBrowse link
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 1:186,263,397...186,594,743
Ensembl chr 1:186,263,447...186,594,740 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        immunomodulator 15130
          immunosuppressive agent 13986
            sotrastaurin 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            heteroorganic entity 20219
                              organochalcogen compound 19904
                                organooxygen compound 19806
                                  carbonyl compound 19440
                                    dicarboxylic acids and O-substituted derivatives 12725
                                      dicarboxylic acid 12722
                                        C4-dicarboxylic acid 1372
                                          butenedioic acid 635
                                            maleic acid 595
                                              maleimides 171
                                                sotrastaurin 4
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