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Compound Detail

CHEMBL3217028

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CN1CCN(Cc2cccc(Oc3ccc4c(c3)B(O)OC4)c2)CC1.Cl.Cl

Basic Information

ChEMBL ID CHEMBL3217028
Phase Preclinical
Structure Type MOL
InChI Key MTEKIWFCTGBDLL-UHFFFAOYSA-N
Parent Compound CHEMBL3546212
Active Moiety CHEMBL3546212
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25BCl2N2O3
MW 411.14

Activity Summary

IC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PBMC
CHEMBL613107
IC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PBMC IC50 = 7100.0 nM 5.15 Antiinflammatory activity in human PBMCs assessed as inhibition of LPS-induced I... 23411072

Literature References

PubMed DOI Target Context # Activities
23411072 10.1016/j.bmcl.2013.01.072 PBMC 6

Data from ChEMBL 36 via Core Engine