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Compound Detail

CHEMBL4562183

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COc1ncc(-c2ccc3nonc3c2)cc1NS(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL4562183
Phase Preclinical
Structure Type MOL
InChI Key YJULCVNKQJEPHY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
1.66
ALogP
7
HBA
1
HBD
107.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O4S
MW 320.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.21 7.21 61.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31416665 10.1016/j.bmcl.2019.08.004 Unchecked 3
31416665 10.1016/j.bmcl.2019.08.004 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine