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Compound Detail

CHEMBL485946

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CCCCCCCCCc1ccc(B(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485946
Phase Preclinical
Structure Type MOL
InChI Key VONVJOGSLHAKOX-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25BO2
MW 248.17

Activity Summary

IC50 8 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
 IC50 8.04 6.79 9.1 2
Endothelial lipase
CHEMBL5080
 IC50 7.0 6.5 100.0 2
Lipoprotein lipase
CHEMBL2060
 IC50 5.85 5.115 1400.0 2
Monoglyceride lipase
CHEMBL4191
 IC50 5.1 5.1 7900.0 1
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 IC50 5.04 5.04 9100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 9.1 nM 8.04 Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... 18983140
Endothelial lipase IC50 = 100.0 nM 7.0 Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD... 22225633
Endothelial lipase IC50 = 1000.0 nM 6.0 Inhibition of human endothelial lipase expressed using recombinant adenovirus us... 22225633
Lipoprotein lipase IC50 = 1400.0 nM 5.85 Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC... 22225633
Fatty-acid amide hydrolase 1 IC50 = 2920.0 nM 5.54 Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanola... 26850005
Monoglyceride lipase IC50 = 7900.0 nM 5.1 Inhibition of human recombinant MGL 18983140
Transient receptor potential cation channel subfamily V member 1 IC50 = 9100.0 nM 5.04 Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells... 26850005
Lipoprotein lipase IC50 = 42000.0 nM 4.38 Inhibition of human lipoprotein lipase expressed using recombinant adenovirus us... 22225633

Literature References

PubMed DOI Target Context # Activities
26850005 10.1016/j.bmcl.2016.01.071 Transient receptor potential cation channel subfamily V member 1 3
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
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18983140 10.1021/jm801051t Fatty-acid amide hydrolase 1 1
18983140 10.1021/jm801051t Monoglyceride lipase 1
26850005 10.1016/j.bmcl.2016.01.071 Fatty-acid amide hydrolase 1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine