Compound Detail

CHEMBL4580854

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COc1ccc(C(=O)NCCn2cc(C(=O)N[C@@H](CC(C)C)B(O)O)nn2)c(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4580854
Phase	Preclinical
Structure Type	MOL
InChI Key	SPBARNLOSXEWID-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

463.3

MW (Da)

First in Class Prodrug

Molecular Formula	C20H30BN5O7
MW	463.30

IC50 8 meas. best 8.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.66	7.49	2.2	7
PBMC CHEMBL613107	IC50	7.0	7.0	100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	2.2	nM	8.66	Inhibition of human 20S proteasome beta 5i preincubated for 1 hr followed by flu...	31283222
Unchecked	IC50	=	8.1	nM	8.09	Inhibition of human 20S proteasome beta 1i	31283222
Unchecked	IC50	=	22.0	nM	7.66	Cytotoxicity against human pDC assessed as reduction in cell viability by CellTi...	31283222
Unchecked	IC50	=	34.0	nM	7.47	Inhibition of 20S proteasome beta 5i/20S proteasome beta 1i in human PBMC cell l...	31283222
Unchecked	IC50	=	37.0	nM	7.43	Inhibition of 20S proteasome beta 5c (unknown origin) preincubated for 1 hr foll...	31283222
Unchecked	IC50	=	54.0	nM	7.27	Cytotoxicity against human plasmablasts assessed as reduction in cell viability ...	31283222
PBMC	IC50	=	100.0	nM	7.0	Cytotoxicity against human PBMC cells assessed as reduction in cell viability by...	31283222
Unchecked	IC50	=	1400.0	nM	5.85	Inhibition of 20S proteasome beta 1c derived from human erythrocytes preincubate...	31283222

PubMed	DOI	Target Context	# Activities
31283222	10.1021/acs.jmedchem.9b00509	Unchecked	14
31283222	10.1021/acs.jmedchem.9b00509	PBMC	1

Data from ChEMBL 36 via Core Engine