Compound Detail

CHEMBL272880

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)[C@@H](C)O)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL272880
Phase	Preclinical
Structure Type	MOL
InChI Key	MPCHXQPSGOAPFX-KCXAZCMYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

419.3

MW (Da)

First in Class Prodrug

Molecular Formula	C19H26BN3O5S
MW	419.31

IC50 3 meas. best 8.34

EC50 1 meas. best 7.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.34	7.285	4.6	2
Unchecked CHEMBL612545	EC50	7.8	7.8	16.0	1
A2780 CHEMBL614004	IC50	7.55	7.55	28.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	4.6	nM	8.34	Inhibition of chymotrypsin-like activity of human erythrocyte 20S proteasome	18247547
Unchecked	EC50	=	16.0	nM	7.8	Inhibition of chymotrypsin-like activity of human 20S proteasome in Molt4 cells	18247547
A2780	IC50	=	28.0	nM	7.55	Cytotoxicity against human A2780 cells	18247547
Unchecked	IC50	=	590.0	nM	6.23	Inhibition of bovine alpha chymotrypsin	18247547

PubMed	DOI	Target Context	# Activities
18247547	10.1021/jm7010589	Unchecked	3
18247547	10.1021/jm7010589	A2780	1

Data from ChEMBL 36 via Core Engine