CHEBI:229649 - leniolisib

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ChEBI Name leniolisib
ChEBI ID CHEBI:229649
Definition A pyridopyrimidine that is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine substituted by [(3S)-1-propanoylpyrrolidin-3-yl]amino and 6-methoxy-5-(trifluoromethyl)pyridin-3-yl groups at positions 4 and 6, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H25F3N6O2
Net Charge 0
Average Mass 450.466
Monoisotopic Mass 450.19911
InChI InChI=1S/C21H25F3N6O2/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/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1
InChIKey MWKYMZXCGYXLPL-ZDUSSCGKSA-N
SMILES CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CC(=C(OC)N=C1)C(F)(F)F
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
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ChEBI Ontology
Outgoing leniolisib (CHEBI:229649) has role EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor (CHEBI:229651)
leniolisib (CHEBI:229649) has role immunomodulator (CHEBI:50846)
leniolisib (CHEBI:229649) is a aromatic ether (CHEBI:35618)
leniolisib (CHEBI:229649) is a organofluorine compound (CHEBI:37143)
leniolisib (CHEBI:229649) is a pyridines (CHEBI:26421)
leniolisib (CHEBI:229649) is a pyridopyrimidine (CHEBI:38932)
leniolisib (CHEBI:229649) is a pyrrolidines (CHEBI:38260)
leniolisib (CHEBI:229649) is a secondary amino compound (CHEBI:50995)
leniolisib (CHEBI:229649) is a tertiary carboxamide (CHEBI:140326)
Incoming leniolisib phosphate (CHEBI:229650) has part leniolisib (CHEBI:229649)
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
INNs Sources
leniolisib WHO MedNet
léniolisib WHO MedNet
leniolisib WHO MedNet
leniolisibum WHO MedNet
Synonyms Sources
CDZ 173 ChEBI
CDZ-173 free base DrugBank
CDZ-173-NX DrugBank
CDZ173 ChEBI
CDZ173 free base DrugBank
CDZ173-NX DrugBank
Manual Xrefs Databases
5715 DrugCentral
9NQ PDBeChem
D11158 KEGG DRUG
DB16217 DrugBank
Leniolisib Wikipedia
View more database links
Registry Number Type Source
1354690-24-6 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
28947947 PubMed citation Europe PMC
28972011 PubMed citation Europe PMC
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Last Modified
16 April 2024