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Compound Detail

CHEMBL3134609

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Cc1ccc(-c2ccnc(Nc3ccc(Cl)cc3Cl)n2)cc1

Basic Information

ChEMBL ID CHEMBL3134609
Phase Preclinical
Structure Type MOL
InChI Key LQZGIIGQSOXLGF-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

330.2
MW (Da)
5.50
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13Cl2N3
MW 330.22
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.73

Activity Summary

IC50 5 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.43 6.43 371.0 2
HeLa
CHEMBL399
IC50 4.04 4.04 91520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00301A Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 2
- 10.1039/C3MD00301A MCF7 1
- 10.1039/C3MD00301A A549 1
- 10.1039/C3MD00301A HeLa 1
- 10.1039/C3MD00301A HepG2 1
- 10.1039/C3MD00301A Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
- 10.1039/C3MD00301A Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine