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Compound Detail

CHEMBL4128738

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Cc1ccc(S(=O)(=O)n2ncc3cc([N+](=O)[O-])ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128738
Phase Preclinical
Structure Type MOL
InChI Key YCYAVKRCFBQVNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
2.49
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.55
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 C14H11N3O4S
MW 317.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.92

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
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