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Compound Detail

CHEMBL5277633

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COc1ccc(Nc2ncnc3c2ccn3-c2ccc(C)cc2C)cc1Cl

Basic Information

ChEMBL ID CHEMBL5277633
Phase Preclinical
Structure Type MOL
InChI Key UFRALLBVADGIFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.9
MW (Da)
5.44
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN4O
MW 378.86
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
CHEMBL1795194
IC50 7.7 7.7 19.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37252102 10.1039/d3md00039g Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha 1
37252102 10.1039/d3md00039g Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine