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Compound Detail

CHEMBL5806327

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CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL5806327
Phase Preclinical
Structure Type MOL
InChI Key UXGYFNJNOZVAPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.04
ALogP
7
HBA
3
HBD
126.5
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 C22H18FN7
MW 399.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 10.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 10.37 10.37 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine