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

CHEMBL5086797

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
O=C(CCS)Nc1cccc(S(=O)(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5086797
Phase Preclinical
Structure Type MOL
InChI Key ZQWCQRKCZDGTTE-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.19
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11NO4S2
MW 261.32
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.59

Activity Summary

IC50 3 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.89 5.665 1300.0 2
BlaVIM-1
CHEMBL1255155
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1300.0 nM 5.89 Inhibition of Escherichia coli NDM-1 using fluorocillin as substrate incubated f... 35188771
BlaVIM-1 IC50 = 1600.0 nM 5.8 Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated f... 35188771
Unchecked IC50 = 3600.0 nM 5.44 Inhibition of Escherichia coli IMP-7 using fluorocillin as substrate incubated f... 35188771

Literature References

PubMed DOI Target Context # Activities
35188771 10.1021/acs.jmedchem.1c01755 Escherichia coli 3
35188771 10.1021/acs.jmedchem.1c01755 Unchecked 2
35188771 10.1021/acs.jmedchem.1c01755 BlaVIM-1 1
35188771 10.1021/acs.jmedchem.1c01755 No relevant target 1
35188771 10.1021/acs.jmedchem.1c01755 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine