Compound Detail

CHEMBL4471761

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C=CC(=O)N(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)c1ccccc1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4471761
Phase	Preclinical
Structure Type	MOL
InChI Key	BLDPQPOUIDGHGL-IBGZPJMESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

398.2

MW (Da)

First in Class Prodrug

Molecular Formula	C21H24BFN2O4
MW	398.24

IC50 6 meas. best 8.09

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.09	6.152	8.1	5
PBMC CHEMBL613107	IC50	5.24	5.24	5700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	8.1	nM	8.09	Inhibition of human 20S proteasome beta 5i preincubated for 1 hr followed by flu...	31283222
Unchecked	IC50	=	670.0	nM	6.17	Cytotoxicity against human plasmablasts assessed as reduction in cell viability ...	31283222
Unchecked	IC50	=	2200.0	nM	5.66	Inhibition of human 20S proteasome beta 1i	31283222
Unchecked	IC50	=	2400.0	nM	5.62	Inhibition of 20S proteasome beta 5c (unknown origin) preincubated for 1 hr foll...	31283222
PBMC	IC50	=	5700.0	nM	5.24	Cytotoxicity against human PBMC cells assessed as reduction in cell viability by...	31283222
Unchecked	IC50	=	6000.0	nM	5.22	Cytotoxicity against human pDC assessed as reduction in cell viability by CellTi...	31283222

PubMed	DOI	Target Context	# Activities
31283222	10.1021/acs.jmedchem.9b00509	Unchecked	15
31283222	10.1021/acs.jmedchem.9b00509	PBMC	3

Data from ChEMBL 36 via Core Engine