Compound Detail

CHEMBL2326264

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CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2326264
Phase	Preclinical
Structure Type	MOL
InChI Key	BKZCQNIBRSLTPD-MOAULALOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

653.9

MW (Da)

3.71

ALogP

HBA

HBD

196.2

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.0	7.375	10.0	2
Proteasome Macropain subunit CHEMBL3492	IC50	6.72	6.72	190.0	1
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	6.32	6.32	480.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	10.0	nM	8.0	Inhibition of chymotrypsin-like activity of rabbit 26s proteasome beta 5 subunit...	23320547
Unchecked	IC50	=	180.0	nM	6.75	Inhibition of trypsin-like activity of rabbit 26s proteasome beta 2 subunit asse...	23320547
Proteasome Macropain subunit	IC50	=	190.0	nM	6.72	Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cel...	23320547
Proteasome Macropain subunit MB1	IC50	=	480.0	nM	6.32	Inhibition of chymotrypsin-like activity of proteasome beta 5 subunit in HEK-293...	23320547

PubMed	DOI	Target Context	# Activities
23320547	10.1021/jm3016987	Unchecked	4
23320547	10.1021/jm3016987	Proteasome Macropain subunit MB1	1
23320547	10.1021/jm3016987	Proteasome Macropain subunit	1

Data from ChEMBL 36 via Core Engine