Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OVW60IDW1D

Structure

InChI Key DOCINCLJNAXZQF-LBPRGKRZSA-N
Smile C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
InChI
InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16FN7O
Molecular Weight 401.41
AlogP 3.36
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 101.38
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 30.0

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
- 13-13 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hematologic Neoplasms 1 D019337 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4303323
FDA SRS OVW60IDW1D
Guide to Pharmacology 10096
PubChem 11618268
SureChEMBL SCHEMBL17518095
ZINC ZINC000035943170