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Compound Detail

CHEMBL4858830

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O=S(=O)(Nc1cc(-c2cnc3scnc3c2)cnc1Cl)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4858830
Phase Preclinical
Structure Type MOL
InChI Key KKJLCITVXGVBEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.9
MW (Da)
4.21
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11ClN4O2S2
MW 402.89
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 6.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 6.69 6.69 204.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34237636 10.1016/j.ejmech.2021.113661 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine