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Compound Detail

CHEMBL4129807

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O=S(=O)(c1ccc(Cl)cc1)n1c(Cl)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129807
Phase Preclinical
Structure Type MOL
InChI Key LDUSWFHFZOAOFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

327.2
MW (Da)
3.58
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Cl2N2O2S
MW 327.19
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.54

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 7
29778528 10.1016/j.bmc.2018.05.015 Bacillus cereus 5
29778528 10.1016/j.bmc.2018.05.015 Staphylococcus aureus 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