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Compound Detail

CHEMBL1161811

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

Basic Information

ChEMBL ID CHEMBL1161811
Phase Preclinical
Structure Type MOL
InChI Key JLNPSAGPCBTFCX-GFCCVEGCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
-0.47
ALogP
6
HBA
5
HBD
150.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23FN4O5S
MW 390.44
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.33

Activity Summary

IC50 2 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal factor
CHEMBL4372
 IC50 7.24 6.15 57.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lethal factor IC50 = 57.0 nM 7.24 Inhibition of LF by FRET assay 16338135
Lethal factor IC50 = 8700.0 nM 5.06 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