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Compound Detail

CHEMBL5800580

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Cc1nc2c(C(N)=O)cc(-c3ccncc3)cc2n1-c1ccnc2c(Cl)ccc(F)c12

Basic Information

ChEMBL ID CHEMBL5800580
Phase Preclinical
Structure Type MOL
InChI Key PBQAUQZKWRMWLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
4.84
ALogP
5
HBA
1
HBD
86.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClFN5O
MW 431.86
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine