Compound Detail

CHEMBL559141

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C=COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)OCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL559141
Phase	Preclinical
Structure Type	MOL
InChI Key	IGKXBZICPMPKPG-AWCRTANDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

630.8

MW (Da)

4.75

ALogP

HBA

HBD

151.9

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.28	6.118	53.0	5

Parameter	Value	Units	Species
T1/2	6.0	hr	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	53.0	nM	7.28	Inhibition of post acidic activity of proteasome from human PBMC after 30 mins b...	19577931
Unchecked	IC50	=	86.0	nM	7.07	Inhibition of post acidic activity of proteasome from human PBMC after 30 mins b...	19577931
Unchecked	IC50	=	1080.0	nM	5.97	Inhibition of post acidic activity of proteasome from human LCL after 30 mins by...	19577931
Unchecked	IC50	=	5980.0	nM	5.22	Inhibition of trypsin-like activity of proteasome from human PBMC after 30 mins ...	19577931
Unchecked	IC50	=	8860.0	nM	5.05	Inhibition of trypsin-like activity of proteasome in human PBMC after 30 mins by...	19577931

PubMed	DOI	Target Context	# Activities
19577931	10.1016/j.bmc.2009.06.025	Unchecked	9
19577931	10.1016/j.bmc.2009.06.025	ADMET	2
19577931	10.1016/j.bmc.2009.06.025	JIYOYE	2
19577931	10.1016/j.bmc.2009.06.025	Plasma	1

Data from ChEMBL 36 via Core Engine