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

CHEMBL2164524

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
Cc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164524
Phase Preclinical
Structure Type MOL
InChI Key JSBHAUGRDWMDAL-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
0.95
ALogP
7
HBA
2
HBD
114.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O4S
MW 352.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 8.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UDP-3-O-acyl-N-acetylglucosamine deacetylase
CHEMBL2163170
 IC50 8.86 8.86 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
UDP-3-O-acyl-N-acetylglucosamine deacetylase IC50 = 1.39 nM 8.86 Inhibition of Pseudomonas aeruginosa LpxC 23046961

Literature References

PubMed DOI Target Context # Activities
23046961 10.1016/j.bmcl.2012.09.058 Pseudomonas aeruginosa 4
23046961 10.1016/j.bmcl.2012.09.058 UDP-3-O-acyl-N-acetylglucosamine deacetylase 1

Data from ChEMBL 36 via Core Engine