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Compound Detail

CHEMBL6055974

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CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(O[C@@H](C(N)=O)C3CC3)cc1OCC2

Basic Information

ChEMBL ID CHEMBL6055974
Phase Preclinical
Structure Type MOL
InChI Key GFOJWGYPLGSKOJ-GOSISDBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
2.42
ALogP
8
HBA
1
HBD
110.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6O3
MW 408.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.75

Activity Summary

Ki 2 meas. best 9.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
Ki 9.25 9.25 0.6 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
Ki 8.03 8.03 9.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine