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Compound Detail

CHEMBL2068577

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CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2

Basic Information

ChEMBL ID CHEMBL2068577
Phase Preclinical
Structure Type MOL
InChI Key ILQAFSOXNOUTMO-DIMJTDRSSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26BNO4
MW 343.23

Activity Summary

EC50 2 meas. best 6.86
Ki 2 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
EC50 6.86 6.86 138.0 2
Beta-2 adrenergic receptor
CHEMBL210
Ki 5.18 5.18 6606.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22182578 10.1016/j.bmc.2011.11.054 Beta-2 adrenergic receptor 7

Data from ChEMBL 36 via Core Engine