Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3634976

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)NCCCCCCN([C@H](C)C(=O)NO)S(=O)(=O)c1ccc(F)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3634976
Phase Preclinical
Structure Type MOL
InChI Key LCFBLRWFLNRWHR-CQSZACIVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
1.72
ALogP
5
HBA
3
HBD
115.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28FN3O5S
MW 417.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 2 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal factor
CHEMBL4372
 IC50 5.41 5.13 3900.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lethal factor IC50 = 3900.0 nM 5.41 Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift p... 26492514
Lethal factor IC50 = 14000.0 nM 4.85 Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay 26492514

Literature References

PubMed DOI Target Context # Activities
26492514 10.1021/acs.jmedchem.5b01446 Lethal factor 2

Data from ChEMBL 36 via Core Engine