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

CHEMBL255472

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
CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255472
Phase Preclinical
Structure Type MOL
InChI Key YQGOZXKEYZZVKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.80
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O3S2
MW 348.45
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.39

Literature References

PubMed DOI Target Context # Activities
29778528 10.1016/j.bmc.2018.05.015 Escherichia coli 8
29778528 10.1016/j.bmc.2018.05.015 Pseudomonas aeruginosa 7
29778528 10.1016/j.bmc.2018.05.015 Staphylococcus aureus 5
29778528 10.1016/j.bmc.2018.05.015 Bacillus cereus 5
18424136 10.1016/j.bmcl.2008.03.086 Rattus norvegicus 4
18424136 10.1016/j.bmcl.2008.03.086 11-beta-hydroxysteroid dehydrogenase 1 1
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