CHEBI:65326 - pictrelisib

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ChEBI Name pictrelisib
ChEBI ID CHEBI:65326
Definition A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H27N7O3S2
Net Charge 0
Average Mass 513.63600
Monoisotopic Mass 513.162
InChI InChI=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)
InChIKey LHNIIDJUOCFXAP-UHFFFAOYSA-N
SMILES CS(=O)(=O)N1CCN(CC1)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc2[nH]ncc12
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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)
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
GDC0941 ChEBI
Manual Xrefs Databases
D10189 KEGG DRUG
GD9 PDBeChem
LSM-1047 LINCS
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Registry Numbers Types Sources
15630067 Reaxys Registry Number Reaxys
957054-30-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20361045 PubMed citation Europe PMC
22556157 PubMed citation Europe PMC
Last Modified
24 February 2016