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Compound Detail

CHEMBL5878158

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CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccn1

Basic Information

ChEMBL ID CHEMBL5878158
Phase Preclinical
Structure Type MOL
InChI Key GSBDNUCRKFRWBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.44
ALogP
8
HBA
3
HBD
139.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17FN8
MW 400.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 10.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 10.07 10.07 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine