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Compound Detail

CHEMBL3325884

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O=C1NC(=O)/C(=C/c2ccc(-c3cc(F)cc(F)c3O)o2)S1

Basic Information

ChEMBL ID CHEMBL3325884
Phase Preclinical
Structure Type MOL
InChI Key DBMBIVBFQOYZEO-WZUFQYTHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
3.25
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7F2NO4S
MW 323.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25050878 10.1016/j.ejmech.2014.07.056 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine