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Compound Detail

CHEMBL273744

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CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=C/CO)[C@H]2S(=O)(=O)C1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273744
Phase Preclinical
Structure Type MOL
InChI Key WQJGTXOSIODSOO-LESAWYNJSA-M
Parent Compound CHEMBL1206438
Active Moiety CHEMBL1206438
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
-1.60
ALogP
7
HBA
2
HBD
138.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12NNaO8S
MW 353.28
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
7699694 10.1021/jm00006a022 Beta-lactamase 2
7699694 10.1021/jm00006a022 Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine