Compound Detail

CHEMBL1463829

Enter ChEMBL ID:

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

CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1463829
Phase	Preclinical
Structure Type	MOL
InChI Key	UAQNRDOGNLUULA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

406.4

MW (Da)

4.41

ALogP

HBA

HBD

99.2

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 5.49

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sentrin-specific protease 6 CHEMBL1741215	IC50	5.49	5.49	3250.0	1
Sentrin-specific protease 8 CHEMBL1741207	IC50	5.36	5.36	4360.0	1
Unchecked CHEMBL612545	IC50	5.21	5.21	6110.0	1
Sentrin-specific protease 7 CHEMBL1741213	IC50	5.0	5.0	10100.0	1
Serine/threonine-protein phosphatase CHEMBL1293265	IC50	4.99	4.99	10299.0	1
Type-1 angiotensin II receptor CHEMBL227	IC50	4.98	4.98	10393.0	1
Apoptotic protease-activating factor 1 CHEMBL1795093	IC50	4.89	4.89	13000.0	1
Caspase-3 CHEMBL2334	IC50	4.8	4.8	15800.0	1
RNA-editing ligase 1, mitochondrial CHEMBL4105928	IC50	4.66	4.66	21763.0	1
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164	IC50	4.2	4.2	62464.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sentrin-specific protease 6	IC50	=	3250.0	nM	5.49	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s...	-
Sentrin-specific protease 8	IC50	=	4360.0	nM	5.36	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s...	-
Unchecked	IC50	=	6110.0	nM	5.21	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-...	-
Sentrin-specific protease 7	IC50	=	10100.0	nM	5.0	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s...	-
Serine/threonine-protein phosphatase	IC50	=	10299.0	nM	4.99	PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a...	-
Type-1 angiotensin II receptor	IC50	=	10393.0	nM	4.98	PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto...	-
Apoptotic protease-activating factor 1	IC50	=	13000.0	nM	4.89	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore...	-
Caspase-3	IC50	=	15800.0	nM	4.8	PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p...	-
RNA-editing ligase 1, mitochondrial	IC50	=	21763.0	nM	4.66	PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a...	-
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit	IC50	=	62464.0	nM	4.2	PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP5: fluorescence-based bioche...	-

Data from ChEMBL 36 via Core Engine