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Compound Detail

CHEMBL8290

CLAVULANIC ACID (SODIUM)
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O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8290
Name CLAVULANIC ACID (SODIUM)
Phase Preclinical
Structure Type MOL
InChI Key WOGMLDNCNBLDCA-JSYANWSFSA-M
Parent Compound CHEMBL777
Active Moiety CHEMBL777
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
-1.10
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.55
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 C8H8NNaO5
MW 221.14
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 2.19

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase TEM
CHEMBL2065
 IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase TEM IC50 = 60.0 nM 7.22 The concentration of compound to inhibit beta-lactamase was measured on Escheric... 7699694

Literature References

PubMed DOI Target Context # Activities
32242415 10.1021/acs.jmedchem.9b02125 Escherichia coli 10
32242415 10.1021/acs.jmedchem.9b02125 Unchecked 5
7699694 10.1021/jm00006a022 Beta-lactamase 2
7699694 10.1021/jm00006a022 Beta-lactamase TEM 1
7699694 10.1021/jm00006a022 ADMET 1
7699694 10.1021/jm00006a022 No relevant target 1

Data from ChEMBL 36 via Core Engine