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Compound Detail

CHEMBL269657

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

Basic Information

ChEMBL ID CHEMBL269657
Phase Preclinical
Structure Type MOL
InChI Key WCIYLCUOEPHKQQ-FISNJWAKSA-M
Parent Compound CHEMBL1206399
Active Moiety CHEMBL1206399
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.2
MW (Da)
-0.24
ALogP
6
HBA
1
HBD
118.0
PSA (Ų)
0.41
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 C11H9BrNNaO7S
MW 402.15
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.51

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