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Compound Detail

CHEMBL379262

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COC(=O)c1cccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1

Basic Information

ChEMBL ID CHEMBL379262
Phase Preclinical
Structure Type MOL
InChI Key BXSKOZDWOOMDOY-JYRVWZFOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.3
MW (Da)
3.06
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11NO5S
MW 329.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.23

Activity Summary

IC50 2 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 4.87 4.87 13500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16789742 10.1021/jm0601598 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
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