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Compound Detail

CHEMBL1161809

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

Basic Information

ChEMBL ID CHEMBL1161809
Phase Preclinical
Structure Type MOL
InChI Key QQBLPCWXUNQXJP-LLVKDONJSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
-1.25
ALogP
6
HBA
5
HBD
150.6
PSA (Ų)
0.29
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 C13H19FN4O5S
MW 362.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.51

Activity Summary

IC50 2 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal factor
CHEMBL4372
 IC50 7.43 6.28 37.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lethal factor IC50 = 37.0 nM 7.43 Inhibition of LF by FRET assay 16338135
Lethal factor IC50 = 7400.0 nM 5.13 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