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Compound Detail

CHEMBL5838140

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CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1

Basic Information

ChEMBL ID CHEMBL5838140
Phase Preclinical
Structure Type MOL
InChI Key LAPTXMBAMDBLGZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
4.00
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClFN8
MW 422.86
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.65

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.7 8.7 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine