Compound Detail

CHEMBL4792569

Enter ChEMBL ID:

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

CNc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4792569
Phase	Preclinical
Structure Type	MOL
InChI Key	IEIIPRVOFGOFPA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

527.7

MW (Da)

6.77

ALogP

HBA

HBD

79.5

PSA (Å²)

0.20

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sentrin-specific protease 1 CHEMBL1909484	IC50	6.0	6.0	1000.0	1
Sentrin-specific protease 2 CHEMBL2176776	IC50	5.92	5.92	1200.0	1
Sentrin-specific protease 5 CHEMBL4802012	IC50	5.34	5.34	4600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sentrin-specific protease 1	IC50	=	1000.0	nM	6.0	Inhibition of recombinant human SNEP1 (419 to 644 residues) expressed in Escheri...	32717481
Sentrin-specific protease 2	IC50	=	1200.0	nM	5.92	Inhibition of recombinant human SNEP2 (365 to 589 residues) expressed in Escheri...	32717481
Sentrin-specific protease 5	IC50	=	4600.0	nM	5.34	Inhibition of recombinant human SNEP5 (567 to 755 residues) expressed in Escheri...	32717481

PubMed	DOI	Target Context	# Activities
32717481	10.1016/j.ejmech.2020.112553	Sentrin-specific protease 1	1
32717481	10.1016/j.ejmech.2020.112553	Sentrin-specific protease 2	1
32717481	10.1016/j.ejmech.2020.112553	Sentrin-specific protease 5	1
32717481	10.1016/j.ejmech.2020.112553	Unchecked	1

Data from ChEMBL 36 via Core Engine