Compound Detail

CHEMBL270936

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H](C)O)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL270936
Phase	Preclinical
Structure Type	MOL
InChI Key	FJKDCVDXHQLKNK-DQYPLSBCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.2

MW (Da)

First in Class Prodrug

Molecular Formula	C19H26BN3O5
MW	387.25

IC50 3 meas. best 8.17

EC50 1 meas. best 7.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.17	7.03	6.8	2
A2780 CHEMBL614004	IC50	7.68	7.68	20.9	1
Unchecked CHEMBL612545	EC50	7.5	7.5	32.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	6.8	nM	8.17	Inhibition of chymotrypsin-like activity of human erythrocyte 20S proteasome	18247547
A2780	IC50	=	20.9	nM	7.68	Cytotoxicity against human A2780 cells	18247547
Unchecked	EC50	=	32.0	nM	7.5	Inhibition of chymotrypsin-like activity of human 20S proteasome in Molt4 cells	18247547
Unchecked	IC50	=	1300.0	nM	5.89	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