LENIOLISIB

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L22772Z9CP

Structure
InChI Key MWKYMZXCGYXLPL-ZDUSSCGKSA-N
Smile CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25F3N6O2
Molecular Weight 450.47
AlogP 2.88
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 83.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase p110-delta subunit inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 76
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 880 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 76
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 4700 - - -
Enzyme Transferase
- 11-1150 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 7700 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3643413
DrugBank DB16217
FDA SRS L22772Z9CP
Guide to Pharmacology 9424
PDB 9NQ
PubChem 57495353
SureChEMBL SCHEMBL323054
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