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Compound Detail

CHEMBL5878424

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Cc1c(Cn2c(C(F)F)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5878424
Phase Preclinical
Structure Type MOL
InChI Key GPIHWXNSBZPKQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
4.88
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F5N3O3
MW 469.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
CHEMBL5554
IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine