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Compound Detail

CHEMBL5281587

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Nc1ccc(-c2cnc(Cl)c(N)c2)cn1

Basic Information

ChEMBL ID CHEMBL5281587
Phase Preclinical
Structure Type MOL
InChI Key FHARCAKMRAVLEB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.7
MW (Da)
1.96
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9ClN4
MW 220.66
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 4.49 4.49 32538.0 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