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Compound Detail

CHEMBL5927837

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C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC#N

Basic Information

ChEMBL ID CHEMBL5927837
Phase Preclinical
Structure Type MOL
InChI Key FAYFETNNKYDVPJ-VIFPVBQESA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.8
MW (Da)
1.96
ALogP
10
HBA
3
HBD
172.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClN9O
MW 409.84
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.55

Activity Summary

IC50 3 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.05 8.05 9.0 1
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 7.24 7.24 58.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 7.11 7.11 78.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine