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Compound Detail

CHEMBL4866066

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O=S(=O)(Nc1cc(-c2cnc3c(c2)CCN3)cnc1Cl)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4866066
Phase Preclinical
Structure Type MOL
InChI Key MCLMKIGSCDBKOH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.9
MW (Da)
3.57
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.67
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 C18H15ClN4O2S
MW 386.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 6.91 6.91 123.0 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