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Compound Detail

CHEMBL204291

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Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CCCC2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204291
Phase Preclinical
Structure Type MOL
InChI Key CUHXSENFQJVQEB-CYBMUJFWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
1.48
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.56
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 C14H19FN2O4S
MW 330.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.43

Activity Summary

IC50 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal factor
CHEMBL4372
 IC50 7.19 6.98 64.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lethal factor IC50 = 64.0 nM 7.19 Inhibition of LF by FRET assay 16338135
Lethal factor IC50 = 170.0 nM 6.77 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