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Compound Detail

CHEMBL5924468

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CN1CCC(F)(C(=O)N2Cc3c(Nc4nc(OCC(F)(F)F)ncc4F)n[nH]c3C2(C)C)CC1

Basic Information

ChEMBL ID CHEMBL5924468
Phase Preclinical
Structure Type MOL
InChI Key LKQQDFRBWPNRJF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.4
MW (Da)
3.03
ALogP
7
HBA
2
HBD
99.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24F5N7O2
MW 489.45
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.93

Activity Summary

Ki 2 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
Ki 8.77 8.77 1.7 1
Unchecked
CHEMBL612545
Ki 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine