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Compound Detail

CHEMBL485359

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O=C(c1ccc(Oc2ccc3c(c2)COB3O)cc1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485359
Phase Preclinical
Structure Type MOL
InChI Key LDKHXGIHIBYPGK-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

339.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18BNO5
MW 339.16

Activity Summary

IC50 6 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PBMC
CHEMBL613107
 IC50 6.77 6.352 170.0 5
Phosphodiesterase 4
CHEMBL2093863
 IC50 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PBMC IC50 = 170.0 nM 6.77 Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut... 19303290
PBMC IC50 = 330.0 nM 6.48 Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut... 19303290
PBMC IC50 = 370.0 nM 6.43 Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut... 19303290
PBMC IC50 = 440.0 nM 6.36 Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... 19303290
Phosphodiesterase 4 IC50 = 570.0 nM 6.24 Inhibition of PDE4 in human U937 cells assessed as accumulation of [3H]adenosine... 19303290
PBMC IC50 = 1900.0 nM 5.72 Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut... 19303290

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 L929 1
19303290 10.1016/j.bmcl.2009.03.007 Phosphodiesterase 4 1
19303290 10.1016/j.bmcl.2009.03.007 Mus musculus 1

Data from ChEMBL 36 via Core Engine