Compound Detail

CHEMBL5177052

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1C[C@@H]2CC[C@H]1O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5177052
Phase	Preclinical
Structure Type	MOL
InChI Key	RFQDLTYXNINJON-YUDUHTQSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

329.2

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C17H20BNO5
MW	329.16

IC50 4 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome subunit beta type-8 CHEMBL5620	IC50	7.82	7.765	15.0	2
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	5.61	5.4	2445.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome subunit beta type-8	IC50	=	15.0	nM	7.82	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s...	34228444
Proteasome subunit beta type-8	IC50	=	19.6	nM	7.71	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	2445.0	nM	5.61	Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-lu...	34228444
Proteasome Macropain subunit MB1	IC50	=	6500.0	nM	5.19	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate...	34228444

PubMed	DOI	Target Context	# Activities
34228444	10.1021/acs.jmedchem.1c00604	ADMET	4
34228444	10.1021/acs.jmedchem.1c00604	Proteasome subunit beta type-8	2
34228444	10.1021/acs.jmedchem.1c00604	Proteasome Macropain subunit MB1	2
34228444	10.1021/acs.jmedchem.1c00604	Unchecked	2
34228444	10.1021/acs.jmedchem.1c00604	No relevant target	1

Data from ChEMBL 36 via Core Engine