SELETALISIB

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Synonyms
Status
Molecule Category Free-form
UNII 64CW205BDD

Structure

InChI Key LNLJHGXOFYUARS-OAQYLSRUSA-N
Smiles [O-][n+]1cccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)c1
InChI
InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H14ClF3N6O
Molecular Weight 482.85
AlogP 5.24
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 90.53
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
PI3-kinase p110-delta subunit inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 12-280 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 12-280 - - -

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 CHEMBL4297648
DrugBank DB12706
FDA SRS 64CW205BDD
Guide to Pharmacology 9800
PubChem 56928390
SureChEMBL SCHEMBL15363617
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