Compound Detail

CHEMBL4243375

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COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4243375
Phase	Preclinical
Structure Type	MOL
InChI Key	QZRBBSWQICQORE-KBPBESRZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

405.1

MW (Da)

First in Class Prodrug

Molecular Formula	C16H23BCl2N2O5
MW	405.09

IC50 5 meas. best 8.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
U-266 CHEMBL2366315	IC50	8.17	8.17	6.8	1
Unchecked CHEMBL612545	IC50	8.12	8.12	7.5	1
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	8.09	8.09	8.2	1
RPMI-8226 CHEMBL614882	IC50	8.05	8.05	9.0	1
ARH-77 CHEMBL2366241	IC50	8.04	8.04	9.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
U-266	IC50	=	6.75	nM	8.17	Cytotoxicity against human U266B1 cells assessed as reduction in cell viability ...	29934218
Unchecked	IC50	=	7.52	nM	8.12	Proteasome Inhibitory Activity: The proteasome used in the present invention is ...	-
Proteasome Macropain subunit MB1	IC50	=	8.21	nM	8.09	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-L...	29934218
RPMI-8226	IC50	=	8.99	nM	8.05	Cytotoxicity against human RPMI8226 cells assessed as reduction in cell viabilit...	29934218
ARH-77	IC50	=	9.1	nM	8.04	Cytotoxicity against human ARH77 cells assessed as reduction in cell viability a...	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