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Compound Detail

CHEMBL59227

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C[C@]1(CCl)[C@H](C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])C2S1(=O)=O.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59227
Phase Preclinical
Structure Type MOL
InChI Key SKWGKHBFDJALLR-SBZHFWSUSA-L
Parent Compound CHEMBL1205152
Active Moiety CHEMBL1205152
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.7
MW (Da)
-0.96
ALogP
5
HBA
2
HBD
129.1
PSA (Ų)
0.39
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 C10H8ClNNa2O7S
MW 367.67
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.43

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
10450969 10.1016/s0960-894x(99)00325-x Beta-lactamase 3

Data from ChEMBL 36 via Core Engine