Compound Detail

CHEMBL5207873

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O=C(Cc1ccccc1)N[C@@H](Cc1c(Cl)oc2ccccc12)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5207873
Phase	Preclinical
Structure Type	MOL
InChI Key	MOCFJOFENRKDPM-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 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome subunit beta type-8 CHEMBL5620	IC50	6.7	6.39	200.0	2
Unchecked CHEMBL612545	IC50	6.56	6.56	275.0	1
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	4.78	4.74	16492.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome subunit beta type-8	IC50	=	200.0	nM	6.7	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	=	824.0	nM	6.08	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	16492.0	nM	4.78	Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	20000.0	nM	4.7	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate...	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