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Compound Detail

CHEMBL4647100

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C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(B(O)O)c3)ncc2C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL4647100
Phase Preclinical
Structure Type MOL
InChI Key UHUYFDGOLGHSIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17BF3N5O3
MW 443.19

Activity Summary

IC50 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
IC50 8.19 8.19 6.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31843459 10.1016/j.bmc.2019.115236 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine