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Compound Detail

CHEMBL140780

TOLYL BORONIC ACID
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Cc1ccc(B(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140780
Name TOLYL BORONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key BIWQNIMLAISTBV-UHFFFAOYSA-N
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

136.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9BO2
MW 135.96

Activity Summary

IC50 5 meas. best 5.05
Ki 5 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL2026
 Ki 5.27 5.27 5400.0 1
Lipoprotein lipase
CHEMBL2060
 IC50 5.05 4.825 9000.0 2
Carbonic anhydrase
CHEMBL5337
 Ki 5.05 5.05 9000.0 1
Unchecked
CHEMBL612545
 Ki 5.05 5.05 8900.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 4.97 4.97 10800.0 1
Endothelial lipase
CHEMBL5080
 IC50 4.77 4.715 17000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase Ki = 5400.0 nM 5.27 Inhibitory activity against Escherichia coli AmpC beta-lactamase. 9804697
Lipoprotein lipase IC50 = 9000.0 nM 5.05 Inhibition of human lipoprotein lipase expressed using recombinant adenovirus us... 22225633
Unchecked Ki = 8900.0 nM 5.05 Inhibition of Cryptococcus neoformans recombinant Carbonic anhydrase 2 pre-incub... 19375309
Carbonic anhydrase Ki = 9000.0 nM 5.05 Inhibition of Candida albicans recombinant Carbonic anhydrase pre-incubated for ... 19375309
Carbonic anhydrase 2 Ki = 10800.0 nM 4.97 Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for ... 19375309
Endothelial lipase IC50 = 17000.0 nM 4.77 Inhibition of human endothelial lipase expressed using recombinant adenovirus us... 22225633
Endothelial lipase IC50 = 22000.0 nM 4.66 Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD... 22225633
Lipoprotein lipase IC50 = 25000.0 nM 4.6 Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC... 22225633

Literature References

PubMed DOI Target Context # Activities
20594849 10.1016/j.bmcl.2010.06.039 Unchecked 2
22225633 10.1016/j.bmcl.2011.12.043 Endothelial lipase 2
22225633 10.1016/j.bmcl.2011.12.043 Lipoprotein lipase 2
22225633 10.1016/j.bmcl.2011.12.043 Unchecked 2
9804697 10.1021/jm980343w Beta-lactamase 1
19375309 10.1016/j.bmcl.2009.03.147 Carbonic anhydrase 1 1
19375309 10.1016/j.bmcl.2009.03.147 Carbonic anhydrase 2 1
19375309 10.1016/j.bmcl.2009.03.147 Unchecked 1
19375309 10.1016/j.bmcl.2009.03.147 Carbonic anhydrase 1

Data from ChEMBL 36 via Core Engine