PAXALISIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P5DKZ70636

Structure
InChI Key LGWACEZVCMBSKW-UHFFFAOYSA-N
Smile CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChI
InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N8O2
Molecular Weight 382.43
AlogP 0.97
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 117.1
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed Other
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
- - - 70 -
Enzyme Transferase
- - - 2 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3813842
DrugBank DB15186
FDA SRS P5DKZ70636
Guide to Pharmacology 10097
PubChem 57384863
SureChEMBL SCHEMBL10239943
ZINC ZINC000149645112
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