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Compound Detail

CHEMBL230239

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c1ccc(-c2nc(N3CCOCC3)c3sc4ncccc4c3n2)cc1

Basic Information

ChEMBL ID CHEMBL230239
Phase Preclinical
Structure Type MOL
InChI Key KABUJZYOOVQZPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.74
ALogP
6
HBA
0
HBD
51.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4OS
MW 348.43
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.99

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17339109 10.1016/j.bmcl.2007.02.032 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine