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Compound Detail

CHEMBL201564

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CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201564
Phase Preclinical
Structure Type MOL
InChI Key FUZMZNXPKIXFFW-SNVBAGLBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
0.70
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15FN2O4S
MW 290.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.66

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal factor
CHEMBL4372
 IC50 7.0 6.655 100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lethal factor IC50 = 100.0 nM 7.0 Inhibition of LF by FRET assay 16338135
Lethal factor IC50 = 490.0 nM 6.31 Inhibition of LF by MACK assay 16338135

Literature References

PubMed DOI Target Context # Activities
16338135 10.1016/j.bmcl.2005.10.088 Lethal factor 2

Data from ChEMBL 36 via Core Engine