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Compound Detail

CHEMBL5439011

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CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccsc2)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL5439011
Phase Preclinical
Structure Type MOL
InChI Key BXHZJNGNJPJCER-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.0
MW (Da)
5.13
ALogP
9
HBA
1
HBD
100.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClN8S
MW 472.97
Aromatic Rings 6
Heavy Atoms 33
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37606563 10.1021/acs.jmedchem.3c00508 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine