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Compound Detail

CHEMBL8343

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CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=C/C(C)(C)C)[C@H]2SC1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8343
Phase Preclinical
Structure Type MOL
InChI Key FIAIPWZZWBPKMV-HTOGEZAYSA-M
Parent Compound CHEMBL1204656
Active Moiety CHEMBL1204656
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
1.78
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.48
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 C15H18NNaO5S
MW 347.37
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.47

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