Compound Detail

CHEMBL5191807

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O=C(Cc1ccccc1)N[C@@H](Cc1coc2c(Cl)cccc12)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5191807
Phase	Preclinical
Structure Type	MOL
InChI Key	LVRYKEGBEKKPBZ-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

357.6

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C18H17BClNO4
MW	357.60

IC50 5 meas. best 8.39

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome subunit beta type-8 CHEMBL5620	IC50	8.39	7.885	4.1	2
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	6.07	5.7733	860.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome subunit beta type-8	IC50	=	4.1	nM	8.39	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s...	34228444
Proteasome subunit beta type-8	IC50	=	41.5	nM	7.38	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	860.0	nM	6.07	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate...	34228444
Proteasome Macropain subunit MB1	IC50	=	2062.0	nM	5.69	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