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Compound Detail

CHEMBL4204046

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O=S(=O)(Nc1cc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)cnc1Cl)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4204046
Phase Preclinical
Structure Type MOL
InChI Key DMQCVFMPGGBPND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.9
MW (Da)
5.75
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17ClN4O2S
MW 460.95
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.57 6.57 268.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28835805 10.1021/acsmedchemlett.7b00222 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine