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Compound Detail

CHEMBL1304024

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O=Cc1ccc2cccc3c2c1N=C(C(F)(F)F)N3

Basic Information

ChEMBL ID CHEMBL1304024
Phase Preclinical
Structure Type MOL
InChI Key FRZCJQMDGWOKDO-UHFFFAOYSA-N
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
3.67
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7F3N2O
MW 264.21
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.33

Activity Summary

IC50 6 meas. best 5.06
EC50 2 meas. best 4.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta Lactamase
CHEMBL1293246
IC50 5.06 5.06 8759.0 1
Apoptotic protease-activating factor 1
CHEMBL1795093
IC50 5.04 4.865 9200.0 2
Unchecked
CHEMBL612545
IC50 4.93 4.93 11800.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.61 4.61 24771.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.56 4.56 27585.0 1
Beta-lactamase
CHEMBL1293260
IC50 4.55 4.55 27907.0 1
Beta-lactamase
CHEMBL1293244
IC50 4.49 4.49 32575.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine