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Compound Detail

CHEMBL4781969

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C=Cc1ccc2oc3ccc(=O)n(-c4cccc(NC(=O)c5ccc(OC)nc5)c4)c3c2c1

Basic Information

ChEMBL ID CHEMBL4781969
Phase Preclinical
Structure Type MOL
InChI Key JNBVASZIKWFQEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
5.04
ALogP
6
HBA
1
HBD
86.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19N3O4
MW 437.46
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32755681 10.1016/j.bmcl.2020.127457 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine