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Compound Detail

CHEMBL552398

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CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1

Basic Information

ChEMBL ID CHEMBL552398
Phase Preclinical
Structure Type MOL
InChI Key AXCRPUQPHZRZNF-LLVKDONJSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22BNO5
MW 283.13

Activity Summary

EC50 2 meas. best 10.14
Kd 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL5414
EC50 10.14 9.41 0.1 2
Beta-2 adrenergic receptor
CHEMBL5414
Kd 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19168263 10.1016/j.ejmech.2008.12.016 Beta-2 adrenergic receptor 9

Data from ChEMBL 36 via Core Engine