Compound Detail

CHEMBL1813227

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CC(C)C[C@H](NC(=O)CNC(=O)c1cnccn1)B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1813227
Phase	Preclinical
Structure Type	MOL
InChI Key	KEYHIYCBPNFJKV-JTQLQIEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

294.1

MW (Da)

First in Class Prodrug

Molecular Formula	C12H19BN4O4
MW	294.12

IC50 5 meas. best 6.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.96	6.4867	110.0	3
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	6.52	6.52	303.8	1
20S proteasome CHEMBL3831201	IC50	6.11	6.11	768.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	110.0	nM	6.96	Inhibition of chymotrypsin-like activity of 20S proteasome using suc-LLVY-AMC as...	21634429
Unchecked	IC50	=	180.0	nM	6.75	Inhibition of chymotrypsin-like activity of 20S proteasome using suc-LLVY-AMC as...	21634429
Proteasome Macropain subunit MB1	IC50	=	303.8	nM	6.52	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-L...	29934218
20S proteasome	IC50	=	768.4	nM	6.11	Inhibition of human 20S proteasome chymotrypsin-like activity using Suc-Leu-Leu-...	36806958
Unchecked	IC50	=	1800.0	nM	5.75	Inhibition of intracellular chymotrypsin-like activity of 20S proteasome in huma...	21634429

PubMed	DOI	Target Context	# Activities
21634429	10.1021/jm200460q	Unchecked	4
29934218	10.1016/j.bmc.2018.06.020	Proteasome Macropain subunit MB1	1
36806958	10.1016/j.ejmech.2023.115187	20S proteasome	1

Data from ChEMBL 36 via Core Engine