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Compound Detail

CHEMBL5282045

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N#Cc1ncc(-c2ccc(N)nc2)cc1N

Basic Information

ChEMBL ID CHEMBL5282045
Phase Preclinical
Structure Type MOL
InChI Key YFWGBFDDMYKSAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
1.18
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9N5
MW 211.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 4.47 4.47 33525.0 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