PARSACLISIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII OS7097575K

Structure

InChI Key ZQPDJCIXJHUERQ-QWRGUYRKSA-N
Smiles CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1
InChI
InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22ClFN6O2
Molecular Weight 432.89
AlogP 3.12
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 107.95
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
PI3-kinase p110-delta subunit inhibitor INHIBITOR PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 1-2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.15-4.2 - - -

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 CHEMBL4297615
DrugBank DB14867
FDA SRS OS7097575K
Guide to Pharmacology 10098
PubChem 86677874
SureChEMBL SCHEMBL14736228
CONTENTS