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Compound Detail

CHEMBL25613

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CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25613
Phase Preclinical
Structure Type MOL
InChI Key DJIMYYWAZIOWRD-JCGDXUMPSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
-0.26
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13NO4S
MW 231.27
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
14980686 10.1016/j.bmcl.2003.12.037 Beta-lactamase TEM 2
14980686 10.1016/j.bmcl.2003.12.037 Beta-lactamase 2
14980686 10.1016/j.bmcl.2003.12.037 Beta-lactamase L1 1
14980686 10.1016/j.bmcl.2003.12.037 Metallo-beta-lactamase type 2 1
14980686 10.1016/j.bmcl.2003.12.037 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine