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Compound Detail

CHEMBL5911622

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C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL5911622
Phase Preclinical
Structure Type MOL
InChI Key WKDBRCUUDXLTIM-LLVKDONJSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.8
MW (Da)
3.47
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN8
MW 390.84
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.46

Activity Summary

IC50 4 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.32 7.32 48.0 2
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 5.32 5.32 4810.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine