Compound Detail

CHEMBL4068221

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4068221
Phase	Preclinical
Structure Type	MOL
InChI Key	FYRFOQBOEFAQNE-SFTDATJTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.3

MW (Da)

First in Class Prodrug

Molecular Formula	C23H32BN3O4
MW	425.34

IC50 5 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	8.7	8.7	2.0	1
MGC-803 CHEMBL3706566	IC50	8.28	8.28	5.2	1
HepG2 CHEMBL395	IC50	7.52	7.52	30.5	1
Proteasome component C5 CHEMBL4208	IC50	7.52	7.52	30.0	1
Proteasome Macropain subunit CHEMBL3492	IC50	6.72	6.72	190.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome Macropain subunit MB1	IC50	=	2.0	nM	8.7	Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells u...	27769033
MGC-803	IC50	=	5.203	nM	8.28	Antiproliferative activity against human MGC803 cells after 72 hrs by MTT assay	27769033
HepG2	IC50	=	30.49	nM	7.52	Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay	27769033
Proteasome component C5	IC50	=	30.0	nM	7.52	Inhibition of caspase-like activity of 20S proteasome in human HL60 cells using ...	27769033
Proteasome Macropain subunit	IC50	=	190.0	nM	6.72	Inhibition of trypsin-like activity of 20S proteasome in human HL60 cells using ...	27769033

PubMed	DOI	Target Context	# Activities
27769033	10.1016/j.ejmech.2016.10.023	Proteasome Macropain subunit MB1	1
27769033	10.1016/j.ejmech.2016.10.023	HepG2	1
27769033	10.1016/j.ejmech.2016.10.023	MGC-803	1
27769033	10.1016/j.ejmech.2016.10.023	Proteasome Macropain subunit	1
27769033	10.1016/j.ejmech.2016.10.023	Proteasome component C5	1

Data from ChEMBL 36 via Core Engine