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Compound Detail

CHEMBL5880970

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Cc1nc2c(-c3nnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12

Basic Information

ChEMBL ID CHEMBL5880970
Phase Preclinical
Structure Type MOL
InChI Key OTCCAUBYSHUOSO-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
4.16
ALogP
7
HBA
1
HBD
84.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN7O
MW 445.91
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.39

Activity Summary

IC50 3 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 8.7 7.4667 2.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine