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Compound Detail

CHEMBL280090

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CCc1nc2ccccc2c(=O)n1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280090
Phase Preclinical
Structure Type MOL
InChI Key YFJINCTYYDQOHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.3
MW (Da)
4.77
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F6N4O2
MW 444.33
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 4.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 IC50 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 36000.0 nM 4.44 Inhibitory concentration required against cell wall synthesis in Staphylococcus ... 11354364

Literature References

PubMed DOI Target Context # Activities
11354364 10.1016/s0960-894x(01)00160-3 Staphylococcus aureus 1
11354364 10.1016/s0960-894x(01)00160-3 Bacteria 1
11354364 10.1016/s0960-894x(01)00160-3 No relevant target 1

Data from ChEMBL 36 via Core Engine