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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 3:117,793,447...117,805,091
Ensembl chr 3:117,793,457...117,795,425 		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 chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions 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 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863 		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 1:176,832,173...177,163,539
Ensembl chr 1:176,832,226...177,163,536 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        immunomodulator 15051
          immunosuppressive agent 13923
            sotrastaurin 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbonyl compound 18869
                                    dicarboxylic acids and O-substituted derivatives 11070
                                      dicarboxylic acid 11064
                                        C4-dicarboxylic acid 1322
                                          butenedioic acid 620
                                            maleic acid 586
                                              maleimides 167
                                                sotrastaurin 4
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