Compound Detail

CHEMBL2326265

Enter ChEMBL ID:

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

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2326265
Phase	Preclinical
Structure Type	MOL
InChI Key	ZNZRKILWXAGJNN-QXYKVNGXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

639.8

MW (Da)

3.84

ALogP

HBA

HBD

196.2

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	7.03	7.03	93.0	1
Proteasome Macropain subunit CHEMBL3492	IC50	5.57	5.57	2700.0	1
Unchecked CHEMBL612545	IC50	4.62	4.62	24000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome Macropain subunit MB1	IC50	=	93.0	nM	7.03	Inhibition of chymotrypsin-like activity of proteasome beta 5 subunit in HEK-293...	23320547
Proteasome Macropain subunit	IC50	=	2700.0	nM	5.57	Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cel...	23320547
Unchecked	IC50	=	24000.0	nM	4.62	Inhibition of trypsin-like activity of rabbit 26s proteasome beta 2 subunit asse...	23320547

PubMed	DOI	Target Context	# Activities
23320547	10.1021/jm3016987	Unchecked	5
23320547	10.1021/jm3016987	Proteasome Macropain subunit MB1	1
23320547	10.1021/jm3016987	Proteasome Macropain subunit	1

Data from ChEMBL 36 via Core Engine