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Compound Detail

CHEMBL485358

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O=C(O)c1ccc(Oc2ccc3c(c2)COB3O)cc1

Basic Information

ChEMBL ID CHEMBL485358
Phase Preclinical
Structure Type MOL
InChI Key BYVNFPQXJOQGEM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

270.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11BO5
MW 270.05

Activity Summary

IC50 2 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 5.19 5.19 6400.0 1
Unchecked
CHEMBL612545
IC50 5.19 5.19 6420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 6400.0 nM 5.19 Inhibition of PDE4 in human U937 cells assessed as accumulation of [3H]adenosine... 19303290
Unchecked IC50 = 6420.0 nM 5.19 Inhibition of PDE4 20188549

Literature References

PubMed DOI Target Context # Activities
19303290 10.1016/j.bmcl.2009.03.007 PBMC 7
19303290 10.1016/j.bmcl.2009.03.007 Phosphodiesterase 4 1
19303290 10.1016/j.bmcl.2009.03.007 L929 1
20188549 10.1016/j.bmcl.2010.02.010 Unchecked 1

Data from ChEMBL 36 via Core Engine