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Compound Detail

CHEMBL5766948

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Cc1nnc(-c2c(N)ncnc2N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)o1

Basic Information

ChEMBL ID CHEMBL5766948
Phase Preclinical
Structure Type MOL
InChI Key BIIDDVUADIUYBJ-NSHDSACASA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.9
MW (Da)
3.95
ALogP
10
HBA
2
HBD
132.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClN9O
MW 447.89
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.37

Activity Summary

IC50 3 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 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 7.01 7.01 98.0 1
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine