Compound Detail

CHEMBL5194968

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Cc1ccc(C[C@H](NC(=O)Cc2ccccc2)B(O)O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5194968
Phase	Preclinical
Structure Type	MOL
InChI Key	VDMJKJTZNVTNEL-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

297.2

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C17H20BNO3
MW	297.16

IC50 6 meas. best 7.04

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome subunit beta type-8 CHEMBL5620	IC50	7.04	6.7	91.0	2
Unchecked CHEMBL612545	IC50	6.56	6.56	275.0	1
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	5.56	5.32	2750.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome subunit beta type-8	IC50	=	91.0	nM	7.04	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s...	34228444
Unchecked	IC50	=	275.0	nM	6.56	Determination of LMP7 Activity: Measurement of LMP7 inhibition is performed in 3...	-
Proteasome subunit beta type-8	IC50	=	438.0	nM	6.36	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	2750.0	nM	5.56	Determination of Beta5 Activity: Measurement of Beta5 inhibition is performed in...	-
Proteasome Macropain subunit MB1	IC50	=	6300.0	nM	5.2	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate...	34228444
Proteasome Macropain subunit MB1	IC50	=	6287.0	nM	5.2	Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-lu...	34228444

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