Compound Detail

CHEMBL1579180

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COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1579180
Phase	Preclinical
Structure Type	MOL
InChI Key	BHRDCLCQKRWPDI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

304.8

MW (Da)

2.61

ALogP

HBA

HBD

68.3

PSA (Å²)

0.94

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Female germline-specific tumor suppressor gld-1 CHEMBL1293302	IC50	5.34	5.34	4541.0	1
Protein Rev CHEMBL1293282	IC50	5.2	5.2	6301.0	1
Polyadenylate-binding protein 1 CHEMBL1293286	IC50	4.83	4.83	14900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Female germline-specific tumor suppressor gld-1	IC50	=	4541.0	nM	5.34	PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do...	-
Protein Rev	IC50	=	6301.0	nM	5.2	PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati...	-
Polyadenylate-binding protein 1	IC50	=	14900.0	nM	4.83	PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla...	-

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4513161	Pseudomonas aeruginosa	2
-	10.6019/CHEMBL4513161	Candida albicans	1
-	10.6019/CHEMBL4513161	Cryptococcus neoformans	1
-	10.6019/CHEMBL4513161	Escherichia coli	1
-	10.6019/CHEMBL4513161	Klebsiella pneumoniae	1
-	10.6019/CHEMBL4513161	Acinetobacter baumannii	1
-	10.6019/CHEMBL4513161	Staphylococcus aureus	1
-	10.6019/CHEMBL4513161	Erythrocyte	1
-	10.6019/CHEMBL4513161	HEK293	1

Data from ChEMBL 36 via Core Engine