Compound Detail

CHEMBL5185756

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N#Cc1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5185756
Phase	Preclinical
Structure Type	MOL
InChI Key	LYUFCYKQDHPIFQ-SFHVURJKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

348.2

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C19H17BN2O4
MW	348.17

IC50 5 meas. best 8.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome subunit beta type-8 CHEMBL5620	IC50	8.28	7.83	5.2	2
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	5.77	5.66	1700.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome subunit beta type-8	IC50	=	5.2	nM	8.28	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s...	34228444
Proteasome subunit beta type-8	IC50	=	42.0	nM	7.38	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	1700.0	nM	5.77	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate...	34228444
Proteasome Macropain subunit MB1	IC50	=	2221.0	nM	5.65	Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	2750.0	nM	5.56	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