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Compound Detail

CHEMBL2386001

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c1ccc([B-]2(c3ccccc3)OCc3cccc[n+]32)cc1

Basic Information

ChEMBL ID CHEMBL2386001
Phase Preclinical
Structure Type MOL
InChI Key UWSCJSOSXINLMD-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

273.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16BNO
MW 273.14

Activity Summary

IC50 4 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ORAI 1/2/3
CHEMBL3038476
IC50 4.99 4.98 10200.0 2
Transient receptor potential cation channel subfamily V member 6
CHEMBL1628465
IC50 4.46 4.42 34900.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23602525 10.1016/j.bmc.2013.03.037 ORAI 1/2/3 2
23602525 10.1016/j.bmc.2013.03.037 Transient receptor potential cation channel subfamily V member 6 2
23602525 10.1016/j.bmc.2013.03.037 No relevant target 1

Data from ChEMBL 36 via Core Engine