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CHEBI:90531 - sotrastaurin

ChEBI IDCHEBI:90531
ChEBI Namesotrastaurin
Stars
DefinitionA 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.
Last Modified23 April 2020
Submittermziehm
DownloadsMolfile
FormulaC25H22N6O2
Net Charge0
Average Mass438.491
Monoisotopic Mass438.18042
SMILESCN1CCN(c2nc(C3=C(c4cnc5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1
InChIInChI=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)
InChIKeyOAVGBZOFDPFGPJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
EC 2.7.11.13 (protein kinase C) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
Application:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
ChEBI Ontology
Outgoing Relation(s)
sotrastaurin (CHEBI:90531) has role anticoronaviral agent (CHEBI:149553)
sotrastaurin (CHEBI:90531) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
sotrastaurin (CHEBI:90531) has role immunosuppressive agent (CHEBI:35705)
sotrastaurin (CHEBI:90531) is a N-alkylpiperazine (CHEBI:46845)
sotrastaurin (CHEBI:90531) is a N-arylpiperazine (CHEBI:46848)
sotrastaurin (CHEBI:90531) is a indoles (CHEBI:24828)
sotrastaurin (CHEBI:90531) is a maleimides (CHEBI:55417)
sotrastaurin (CHEBI:90531) is a quinazolines (CHEBI:38530)
IUPAC Name 
3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione
INNs  Source
sotrastaurinWHO MedNet
sotrastaurinaWHO MedNet
sotrastaurineWHO MedNet
sotrastaurinumWHO MedNet
Synonyms  Source
AEB 071ChEBI
AEB-071ChEBI
AEB071ChemIDplus
Manual XrefsDatabases
LW4PDBeChem
D09671KEGG DRUG
LSM-42761LINCS
Registry NumbersSources
Reaxys:13012870Reaxys
CAS:425637-18-9ChemIDplus
Citations