Compound Detail

CHEMBL5410709

Enter ChEMBL ID:

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

Nc1nc(Nc2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc2ccccc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5410709
Phase	Preclinical
Structure Type	MOL
InChI Key	NNPHFZBQTXDQDC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

399.9

MW (Da)

3.65

ALogP

HBA

HBD

102.9

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 2 meas. best 8.03

EC50 1 meas. best 4.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus CHEMBL613758	IC50	8.03	8.03	9.3	1
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	6.55	6.55	280.0	1
ADMET CHEMBL612558	EC50	4.64	4.64	23000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus	IC50	=	9.3	nM	8.03	Antiviral activity against wild type HIV IIIB infected in human TZM-bl cells	37130343
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	280.0	nM	6.55	Inhibition of HIV1 Reverse transcriptase incubated for 30 mins by fluorescence b...	37130343
ADMET	EC50	=	23000.0	nM	4.64	Neurotoxicity in mouse primary neurons assessed as loss of MAP-2 intensity incub...	37130343

PubMed	DOI	Target Context	# Activities
37130343	10.1021/acs.jmedchem.2c02055	ADMET	4
37130343	10.1021/acs.jmedchem.2c02055	Human immunodeficiency virus type 1 reverse transcriptase	1
37130343	10.1021/acs.jmedchem.2c02055	TZM	1
37130343	10.1021/acs.jmedchem.2c02055	Human immunodeficiency virus	1

Data from ChEMBL 36 via Core Engine