Compound Detail

CHEMBL5185591

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COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5185591
Phase	Preclinical
Structure Type	MOL
InChI Key	KJGCIPUFCNTHLB-KRWDZBQOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

353.2

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C19H20BNO5
MW	353.18

IC50 5 meas. best 8.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome subunit beta type-8 CHEMBL5620	IC50	8.66	8.355	2.2	2
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	6.85	6.6867	140.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome subunit beta type-8	IC50	=	2.2	nM	8.66	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s...	34228444
Proteasome subunit beta type-8	IC50	=	8.9	nM	8.05	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	140.0	nM	6.85	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate...	34228444
Proteasome Macropain subunit MB1	IC50	=	222.0	nM	6.65	Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	275.0	nM	6.56	Determination of Beta5 Activity: Measurement of Beta5 inhibition is performed in...	-

PubMed	DOI	Target Context	# Activities
34228444	10.1021/acs.jmedchem.1c00604	Proteasome subunit beta type-8	2
34228444	10.1021/acs.jmedchem.1c00604	Proteasome Macropain subunit MB1	2
34228444	10.1021/acs.jmedchem.1c00604	Unchecked	2

Data from ChEMBL 36 via Core Engine