CHEBI:229650 - leniolisib phosphate

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ChEBI Name leniolisib phosphate
ChEBI ID CHEBI:229650
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H25F3N6O2.H3O4P
Net Charge 0
Average Mass 548.460
Monoisotopic Mass 548.17600
InChI InChI=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
InChIKey XXEDEGOAYSGNPS-ZOWNYOTGSA-N
SMILES OP(O)(O)=O.CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CC(=C(OC)N=C1)C(F)(F)F
Roles Classification
Biological Role(s): 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).
immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
Application(s): immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Joenja KEGG DRUG
Manual Xrefs Databases
D11159 KEGG DRUG
DBSALT003336 DrugBank
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Citations Waiting for Citations Types Sources
37094051 PubMed citation Europe PMC
37256490 PubMed citation Europe PMC
37257154 PubMed citation Europe PMC
Last Modified
20 February 2024