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Compound Detail

CHEMBL5840290

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Cc1nc2c(C#N)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl

Basic Information

ChEMBL ID CHEMBL5840290
Phase Preclinical
Structure Type MOL
InChI Key MCIVADNYHDMREB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.3
MW (Da)
4.41
ALogP
5
HBA
0
HBD
54.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2N4O
MW 401.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
CHEMBL5554
IC50 7.9 7.9 12.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine