Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5923312

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ncc(-c2cc(N3CCC(=O)CC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1

Basic Information

ChEMBL ID CHEMBL5923312
Phase Preclinical
Structure Type MOL
InChI Key FTJSUUKIIAHLQX-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
1.54
ALogP
9
HBA
1
HBD
110.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F3N7O2
MW 423.40
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.41

Activity Summary

IC50 5 meas. best 6.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
IC50 6.49 6.49 327.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
IC50 5.97 5.97 1067.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL5169092
IC50 5.76 5.76 1730.0 1
Unchecked
CHEMBL612545
IC50 5.28 5.23 5310.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine