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CHEBI:65326 - pictrelisib

ChEBI IDCHEBI:65326
ChEBI Namepictrelisib
Stars
DefinitionA sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.
Last Modified6 March 2019
Submittermwilliams
DownloadsMolfile
FormulaC23H27N7O3S2
Net Charge0
Average Mass513.649
Monoisotopic Mass513.16168
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
InChIKeyLHNIIDJUOCFXAP-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
ChEBI Ontology
Outgoing Relation(s)
pictrelisib (CHEBI:65326) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
pictrelisib (CHEBI:65326) is a indazoles (CHEBI:38769)
pictrelisib (CHEBI:65326) is a morpholines (CHEBI:38785)
pictrelisib (CHEBI:65326) is a piperazines (CHEBI:26144)
pictrelisib (CHEBI:65326) is a sulfonamide (CHEBI:35358)
pictrelisib (CHEBI:65326) is a thienopyrimidine (CHEBI:143212)
IUPAC Name 
2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine
Synonym  Source
GDC0941ChEBI
Manual XrefsDatabases
D10189KEGG DRUG
GD9PDBeChem
LSM-1047LINCS
Registry NumbersSources
Reaxys:15630067Reaxys
CAS:957054-30-7ChemIDplus
Citations