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Compound Detail

CHEMBL415234

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CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL415234
Phase Preclinical
Structure Type MOL
InChI Key RWWGWMFVMWQBQG-WLYNEOFISA-M
Parent Compound CHEMBL1207552
Active Moiety CHEMBL1207552
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
0.40
ALogP
5
HBA
1
HBD
104.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17N2NaO6S
MW 328.32
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9767633 10.1021/jm980023c Beta-lactamase 8
9767633 10.1021/jm980023c Unchecked 2
9767633 10.1021/jm980023c Escherichia coli 1

Data from ChEMBL 36 via Core Engine