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Compound Detail

CHEMBL5852296

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CCc1nc2c(O)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl

Basic Information

ChEMBL ID CHEMBL5852296
Phase Preclinical
Structure Type MOL
InChI Key MSJOLNOAIUZRIM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
4.50
ALogP
5
HBA
1
HBD
50.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21Cl2N3O2
MW 406.31
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
CHEMBL5554
IC50 8.5 8.5 3.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine