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CHEBI:90531 - sotrastaurin

Default Structure
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:
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).
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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
D09671KEGG DRUG
LSM-42761LINCS
LW4PDBeChem
Registry NumbersSources
Reaxys:13012870Reaxys
CAS:425637-18-9ChemIDplus
Citations