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Compound Detail

CHEMBL5916761

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Cc1nc(N)nc(N[C@H](c2nc3cccc(Cl)c3c(=O)n2CCCN)C2CC2)c1C#N

Basic Information

ChEMBL ID CHEMBL5916761
Phase Preclinical
Structure Type MOL
InChI Key ZQTOIAUDKJDPEL-KRWDZBQOSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
2.51
ALogP
9
HBA
3
HBD
148.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN8O
MW 438.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.17

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 9.0 9.0 1.0 1
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 9.0 9.0 1.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine