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Compound Detail

CHEMBL2386003

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O=C1C[NH2+][B-](c2ccccc2)(c2ccccc2)O1

Basic Information

ChEMBL ID CHEMBL2386003
Phase Preclinical
Structure Type MOL
InChI Key DNSLODXLJMGOJL-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

239.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14BNO2
MW 239.08

Activity Summary

IC50 5 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ORAI 1/2/3
CHEMBL3038476
IC50 4.96 4.685 11000.0 2
Transient receptor potential cation channel subfamily V member 6
CHEMBL1628465
IC50 4.89 4.7 12900.0 2
L5178Y
CHEMBL614720
IC50 4.65 4.65 22500.0 1

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
35453036 10.1016/j.bmc.2022.116748 L5178Y 1

Data from ChEMBL 36 via Core Engine