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Compound Detail

CHEMBL5274042

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Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1

Basic Information

ChEMBL ID CHEMBL5274042
Phase Preclinical
Structure Type MOL
InChI Key PGFKHXBTHKHMAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
3.32
ALogP
5
HBA
2
HBD
98.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClFN4O2S
MW 378.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.01 7.01 98.0 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