Compound Detail

CHEMBL4251272

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COC[C@H](NC(=O)c1cccc2c1CCCC2)C(=O)N[C@@H](CC(C)C)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4251272
Phase	Preclinical
Structure Type	MOL
InChI Key	ZMVPXNGXCCVLTO-ROUUACIJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.3

MW (Da)

First in Class Prodrug

Molecular Formula	C20H31BN2O5
MW	390.29

IC50 4 meas. best 8.32

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	8.32	8.32	4.8	1
ARH-77 CHEMBL2366241	IC50	7.84	7.84	14.4	1
U-266 CHEMBL2366315	IC50	7.82	7.82	15.1	1
RPMI-8226 CHEMBL614882	IC50	7.48	7.48	32.8	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome Macropain subunit MB1	IC50	=	4.82	nM	8.32	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-L...	29934218
ARH-77	IC50	=	14.41	nM	7.84	Cytotoxicity against human ARH77 cells assessed as reduction in cell viability a...	29934218
U-266	IC50	=	15.09	nM	7.82	Cytotoxicity against human U266B1 cells assessed as reduction in cell viability ...	29934218
RPMI-8226	IC50	=	32.78	nM	7.48	Cytotoxicity against human RPMI8226 cells assessed as reduction in cell viabilit...	29934218

PubMed	DOI	Target Context	# Activities
29934218	10.1016/j.bmc.2018.06.020	ARH-77	1
29934218	10.1016/j.bmc.2018.06.020	U-266	1
29934218	10.1016/j.bmc.2018.06.020	RPMI-8226	1
29934218	10.1016/j.bmc.2018.06.020	Proteasome Macropain subunit MB1	1

Data from ChEMBL 36 via Core Engine