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

CHEMBL3634971

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

Basic Information

ChEMBL ID CHEMBL3634971
Phase Preclinical
Structure Type MOL
InChI Key JJAMXWPSPYYQTI-HNCPQSOCSA-N
Parent Compound CHEMBL3635073
Active Moiety CHEMBL3635073
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
0.37
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21F4N3O6S
MW 447.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.41

Activity Summary

IC50 2 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal factor
CHEMBL4372
 IC50 5.43 5.175 3700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lethal factor IC50 = 3700.0 nM 5.43 Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift p... 26492514
Lethal factor IC50 = 12000.0 nM 4.92 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