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

CHEMBL5415172

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(O)c1ccc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5415172
Phase Preclinical
Structure Type MOL
InChI Key BYYMGSTVXNKGDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
2.64
ALogP
6
HBA
2
HBD
139.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O6S
MW 373.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metallo-beta-lactamase type 2
CHEMBL5465386
 IC50 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metallo-beta-lactamase type 2 IC50 = 560.0 nM 6.25 Inhibition of C-terminal 6His-tagged full length NDM-1 (unknown origin) expresse... 37585683

Literature References

PubMed DOI Target Context # Activities
37585683 10.1021/acs.jmedchem.3c00171 Metallo-beta-lactamase type 2 1

Data from ChEMBL 36 via Core Engine