Compound Detail

CHEMBL4562527

Enter ChEMBL ID:

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

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](c2ccccc2)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4562527
Phase	Preclinical
Structure Type	MOL
InChI Key	CSETXDZLMRQNSX-QVMCWBLBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

678.8

MW (Da)

5.35

ALogP

HBA

HBD

165.7

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	7.15	6.04	71.0	2
Proteasome Macropain subunit CHEMBL3492	IC50	6.52	6.52	300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proteasome Macropain subunit MB1	IC50	=	71.0	nM	7.15	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in...	27438186
Proteasome Macropain subunit	IC50	=	300.0	nM	6.52	Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human ...	27438186
Proteasome Macropain subunit MB1	IC50	=	11700.0	nM	4.93	Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human ...	27438186

PubMed	DOI	Target Context	# Activities
27438186	10.1021/acs.jmedchem.6b00705	Proteasome Macropain subunit MB1	2
27438186	10.1021/acs.jmedchem.6b00705	Proteasome Macropain subunit	2
27438186	10.1021/acs.jmedchem.6b00705	Proteasome component C5	2
27438186	10.1021/acs.jmedchem.6b00705	Unchecked	1

Data from ChEMBL 36 via Core Engine