Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL277857

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
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 CHEMBL277857
Phase Preclinical
Structure Type MOL
InChI Key DJIMYYWAZIOWRD-KZLJYQGOSA-N
1
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. best 4.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2026
 IC50 4.02 4.02 96200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase IC50 = 96200.0 nM 4.02 Beta-Lactamase inhibitory activity against represent active class C (P99) serine... 14980686

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