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Compound Detail

CHEMBL304529

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O=C1NC(=S)S/C1=C\c1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304529
Phase Preclinical
Structure Type MOL
InChI Key SGVBAFTXLZKMIP-YVMONPNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
1.87
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.63
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 C11H7NO3S2
MW 265.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase 1
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase TEM 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine