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

CHEMBL4126532

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=[N+]([O-])c1ccc(S(=O)(=O)n2c(Cl)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126532
Phase Preclinical
Structure Type MOL
InChI Key QXFZYVGVQKOOIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

337.7
MW (Da)
2.83
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8ClN3O4S
MW 337.74
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
29778528 10.1016/j.bmc.2018.05.015 Escherichia coli 11
29778528 10.1016/j.bmc.2018.05.015 Pseudomonas aeruginosa 5
29778528 10.1016/j.bmc.2018.05.015 Bacillus cereus 2
29778528 10.1016/j.bmc.2018.05.015 Staphylococcus aureus 2
29778528 10.1016/j.bmc.2018.05.015 Vero 1
29778528 10.1016/j.bmc.2018.05.015 CCRF-CEM 1
29778528 10.1016/j.bmc.2018.05.015 PBMC 1

Data from ChEMBL 36 via Core Engine