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Compound Detail

CHEMBL450247

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

Basic Information

ChEMBL ID CHEMBL450247
Phase Preclinical
Structure Type MOL
InChI Key FDUGKJWTADVGHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
4.15
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.73
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 C15H13ClN2O3S2
MW 368.87
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.51

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 6
29778528 10.1016/j.bmc.2018.05.015 Staphylococcus aureus 5
29778528 10.1016/j.bmc.2018.05.015 Bacillus cereus 5
19362487 10.1016/j.bmc.2009.03.042 Tyrosine-protein phosphatase non-receptor type 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