LENIOLISIB

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Synonyms
Status
Molecule Category Free-form
UNII L22772Z9CP

Structure

InChI Key MWKYMZXCGYXLPL-ZDUSSCGKSA-N
Smiles 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

Mechanism of Action Action Reference
PI3-kinase p110-delta subunit inhibitor 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 Transferase
- 7-424 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 11-880 - - 76
Macaca fascicularis
- 84 - - -
Mus musculus
- 7-101 - - -
Rattus norvegicus
83 99-150 - - 54-96

Target Conservation

Protein: PI3-kinase p110-delta subunit
Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Organism : Homo sapiens
O00329 ENSG00000171608

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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