Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 64CW205BDD

Structure

InChI Key LNLJHGXOFYUARS-OAQYLSRUSA-N
Smile [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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sjogren's Syndrome 2 D012859 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

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