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Compound Detail

CHEMBL5864974

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O=C(O)c1cc(N2CCOCC2)cc2c1nc(C(F)(F)F)n2Cc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL5864974
Phase Preclinical
Structure Type MOL
InChI Key UGCYDNCLMZVNGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
4.79
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F3N3O3
MW 455.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
CHEMBL5554
IC50 8.9 8.9 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine