Compound Detail

CHEMBL5315679

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Cc1cc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)ccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cc1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5315679
Phase	Preclinical
Structure Type	MOL
InChI Key	UVHHADIQQIICAV-HVMBLDELSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

680.8

MW (Da)

8.77

ALogP

HBA

HBD

210.2

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 10 meas. best 5.73

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Small ubiquitin-related modifier 1/2 CHEMBL6066558	IC50	5.73	5.73	1860.0	1
Sentrin-specific protease 2 CHEMBL2176776	IC50	5.62	5.62	2400.0	2
Sentrin-specific protease 2/Small ubiquitin-related modifier 2 CHEMBL6066557	IC50	5.52	5.52	3000.0	1
Sentrin-specific protease 1 CHEMBL1909484	IC50	5.42	5.42	3800.0	2
Sentrin-specific protease 7 CHEMBL1741213	IC50	5.32	5.32	4800.0	2
Sentrin-specific protease 2/Small ubiquitin-related modifier 1 CHEMBL6066556	IC50	5.29	5.29	5170.0	1
Sentrin-specific protease 1/Small ubiquitin-related modifier 1 CHEMBL6066555	IC50	4.69	4.69	20270.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Small ubiquitin-related modifier 1/2	IC50	=	1860.0	nM	5.73	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-
Sentrin-specific protease 2	IC50	=	2400.0	nM	5.62	Binding Assay: The binding of SPI-01 to the enzyme-substrate complex was investi...	-
Sentrin-specific protease 2	IC50	=	2400.0	nM	5.62	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-
Sentrin-specific protease 2/Small ubiquitin-related modifier 2	IC50	=	3000.0	nM	5.52	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-
Sentrin-specific protease 1	IC50	=	3800.0	nM	5.42	Binding Assay: The binding of SPI-01 to the enzyme-substrate complex was investi...	-
Sentrin-specific protease 1	IC50	=	3800.0	nM	5.42	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-
Sentrin-specific protease 7	IC50	=	4800.0	nM	5.32	Binding Assay: The binding of SPI-01 to the enzyme-substrate complex was investi...	-
Sentrin-specific protease 7	IC50	=	4800.0	nM	5.32	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-
Sentrin-specific protease 2/Small ubiquitin-related modifier 1	IC50	=	5170.0	nM	5.29	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-
Sentrin-specific protease 1/Small ubiquitin-related modifier 1	IC50	=	20270.0	nM	4.69	Enzyme Kinetic Assay: The inhibitors confer the non-competitive inhibitory mecha...	-

Data from ChEMBL 36 via Core Engine