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Compound Detail

CHEMBL140723

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OB(O)[C@@H]1CCOC1

Basic Information

ChEMBL ID CHEMBL140723
Phase Preclinical
Structure Type MOL
InChI Key IRBSKLMCHCHFQE-SCSAIBSYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

115.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H9BO3
MW 115.92

Activity Summary

IC50 1 meas. best 5.3
Ki 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2026
Ki 5.85 5.85 1400.0 1
Beta-lactamase
CHEMBL2026
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9804697 10.1021/jm980343w Beta-lactamase 2
9804697 10.1021/jm980343w Chymotrypsinogen A 1
9804697 10.1021/jm980343w Trypsin-2 1
9804697 10.1021/jm980343w Homo sapiens 1

Data from ChEMBL 36 via Core Engine