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CHEBI:229650 - leniolisib phosphate

ChEBI IDCHEBI:229650
ChEBI Nameleniolisib phosphate
Stars
DefinitionA phosphate salt obtained by reaction leniolisib with one equivalent of phosphoric acid. It is used to treat activated phosphoinositide 3-kinase δ (PI3Kδ) syndrome in adults and children 12 years of age and older.
Last Modified20 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC21H25F3N6O2.H3O4P
Net Charge0
Average Mass548.459
Monoisotopic Mass548.17600
SMILESCCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1.O=P(O)(O)O
InChIInChI=1S/C21H25F3N6O2.H3O4P/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14;1-5(2,3)4/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28);(H3,1,2,3,4)/t13-;/m0./s1
InChIKeyXXEDEGOAYSGNPS-ZOWNYOTGSA-N
Roles Classification
Biological Roles:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor  Any EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of phosphatidylinositol-4,5-bisphosphate 3-kinase (EC 2.7.1.153).
Application:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
ChEBI Ontology
Outgoing Relation(s)
leniolisib phosphate (CHEBI:229650) has part leniolisib (CHEBI:229649)
leniolisib phosphate (CHEBI:229650) has role EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor (CHEBI:229651)
leniolisib phosphate (CHEBI:229650) has role immunomodulator (CHEBI:50846)
leniolisib phosphate (CHEBI:229650) is a phosphate salt (CHEBI:37853)
IUPAC Name 
1-[(3S)-3-({6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)pyrrolidin-1-yl]propan-1-one phosphate
Synonym  Source
phosphoric acid—1-[(3S)-3-({6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)pyrrolidin-1-yl]propan-1-one (1/1)IUPAC
Brand Name  Source
JoenjaKEGG DRUG
Manual XrefsDatabases
DBSALT003336DrugBank
D11159KEGG DRUG
Citations