Compound Detail

CHEMBL484701

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL484701
Phase	Preclinical
Structure Type	MOL
InChI Key	STAOAQFVLBKEQI-PMACEKPBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

411.3

MW (Da)

First in Class Prodrug

Molecular Formula	C22H30BN3O4
MW	411.31

IC50 3 meas. best 8.0

Ki 1 meas. best 9.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	9.85	9.85	0.1	1
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	8.0	8.0	10.0	1
MGC-803 CHEMBL3706566	IC50	7.73	7.73	18.8	1
HepG2 CHEMBL395	IC50	7.06	7.06	87.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	0.1413	nM	9.85	Inhibition of SDS-activated 20S proteasome activity in rabbit muscle	18771818
Proteasome Macropain subunit MB1	IC50	=	10.0	nM	8.0	Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells u...	27769033
MGC-803	IC50	=	18.76	nM	7.73	Antiproliferative activity against human MGC803 cells after 72 hrs by MTT assay	27769033
HepG2	IC50	=	87.25	nM	7.06	Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay	27769033

PubMed	DOI	Target Context	# Activities
27769033	10.1016/j.ejmech.2016.10.023	Proteasome Macropain subunit MB1	3
27769033	10.1016/j.ejmech.2016.10.023	Proteasome Macropain subunit	2
27769033	10.1016/j.ejmech.2016.10.023	Proteasome component C5	2
18771818	10.1016/j.ejmech.2008.07.019	Unchecked	1
27769033	10.1016/j.ejmech.2016.10.023	HepG2	1
27769033	10.1016/j.ejmech.2016.10.023	MGC-803	1

Data from ChEMBL 36 via Core Engine