OMIPALISIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1X8F5A3NA0

Structure
InChI Key CGBJSGAELGCMKE-UHFFFAOYSA-N
Smile COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChI
InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H17F2N5O3S
Molecular Weight 505.51
AlogP 4.84
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 106.96
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 36.0

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
- 0-1 - 0 -
Enzyme Transferase
- 0-1 - - -
Enzyme
- 0-1 - 0 -
Unclassified protein
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Idiopathic Pulmonary Fibrosis 1 D054990 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 95093
ChEMBL CHEMBL1236962
DrugBank DB12703
EPA CompTox DTXSID10148604
FDA SRS 1X8F5A3NA0
Guide to Pharmacology 8974
PDB ZIG
PubChem 25167777
SureChEMBL SCHEMBL623194
ZINC ZINC000043208634
CONTENTS