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

CHEMBL4750797

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
NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750797
Phase Preclinical
Structure Type MOL
InChI Key ZAANCINOCXNPIP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.8
MW (Da)
2.24
ALogP
3
HBA
2
HBD
89.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11ClN2O3S
MW 310.76
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.16

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.36 6.36 440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 440.0 nM 6.36 Inhibition of bacterial ImiS expressed in Escherichia coli BL21 (DE3) using imip... 33479632

Literature References

PubMed DOI Target Context # Activities
33479632 10.1039/c9md00455f Unchecked 6
33479632 10.1039/c9md00455f L929 1

Data from ChEMBL 36 via Core Engine