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Compound Detail

CHEMBL1604961

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COc1c(F)c(F)c(C(=O)O)c(Nc2ccc(C)cc2C)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1604961
Phase Preclinical
Structure Type MOL
InChI Key QIZMVIMSHWTMOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
4.17
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14F3NO3
MW 325.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 IC50 6.24 6.24 579.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 579.0 nM 6.24 PUBCHEM_BIOASSAY: Inhibitors of Bacterial Quorum Sensing Structure Activity Rela... -

Data from ChEMBL 36 via Core Engine