PA-799

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JCL936W835

Structure
InChI Key JEGHXKRHKHPBJD-UHFFFAOYSA-N
Smile CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChI
InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19N7O3S
Molecular Weight 377.43
AlogP -0.33
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 127.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 1600 - - -
Enzyme Transferase
- 120-120 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1684984
DrugBank DB13051
EPA CompTox DTXSID40678540
FDA SRS JCL936W835
Guide to Pharmacology 7743
PDB MMD
SureChEMBL SCHEMBL2377154
ZINC ZINC000066074200
CONTENTS