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Compound Detail

CHEMBL3393402

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CC(C)C[B-]1(O)OCc2cc([C@@H](O)C[NH2+]C(C)(C)C)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393402
Phase Preclinical
Structure Type MOL
InChI Key WZFYFHBOHCIEOC-BUSXIPJBSA-O
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30BNO4
MW 323.24

Activity Summary

Kd 2 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL5414
 Kd 8.29 7.92 5.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor Kd = 5.129 nM 8.29 Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal rin... 25592716
Beta-2 adrenergic receptor Kd = 28.18 nM 7.55 Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal rin... 25592716

Literature References

PubMed DOI Target Context # Activities
25592716 10.1016/j.bmcl.2014.12.077 Beta-2 adrenergic receptor 4

Data from ChEMBL 36 via Core Engine