Compound Detail

CHEMBL1519239

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Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ncccc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1519239
Phase	Preclinical
Structure Type	MOL
InChI Key	VNDZMSRQSGKBEY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

348.8

MW (Da)

3.70

ALogP

HBA

HBD

79.3

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 5.74

EC50 4 meas. best 5.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	5.81	5.81	1550.0	1
Krueppel-like factor 5 CHEMBL1293249	IC50	5.74	5.74	1820.0	1
Unchecked CHEMBL612545	IC50	5.32	4.706	4797.0	5
Streptokinase A CHEMBL1293228	EC50	5.15	5.15	7108.0	1
Streptococcus sp. 'group A' CHEMBL612389	EC50	5.05	5.05	8904.0	1
Streptococcus CHEMBL612313	EC50	5.01	5.01	9720.0	1
Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706	IC50	4.67	4.67	21231.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	1550.0	nM	5.81	PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP...	-
Krueppel-like factor 5	IC50	=	1820.0	nM	5.74	PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc...	-
Unchecked	IC50	=	4797.0	nM	5.32	PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do...	-
Streptokinase A	EC50	=	7108.0	nM	5.15	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus sp. 'group A'	EC50	=	8904.0	nM	5.05	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus	EC50	=	9720.0	nM	5.01	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify...	-
Unchecked	IC50	=	11068.0	nM	4.96	PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r...	-
Disintegrin and metalloproteinase domain-containing protein 17	IC50	=	21231.0	nM	4.67	PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to...	-
Unchecked	IC50	=	29040.0	nM	4.54	PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit...	-
Unchecked	IC50	=	37540.0	nM	4.43	PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi...	-
Unchecked	IC50	=	52370.0	nM	4.28	PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S...	-

Data from ChEMBL 36 via Core Engine