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Compound Detail

CHEMBL5435936

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CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccccc2)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL5435936
Phase Preclinical
Structure Type MOL
InChI Key BEXBEQYAIUWQFT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.9
MW (Da)
5.07
ALogP
8
HBA
1
HBD
100.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19ClN8
MW 466.94
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.33 7.33 46.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37606563 10.1021/acs.jmedchem.3c00508 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine