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Compound Detail

CHEMBL5273428

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Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cn1

Basic Information

ChEMBL ID CHEMBL5273428
Phase Preclinical
Structure Type MOL
InChI Key GDNCGENAWKFRCG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.8
MW (Da)
3.46
ALogP
5
HBA
2
HBD
98.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClF2N4O2S
MW 396.81
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36706844 10.1016/j.bmcl.2023.129152 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine