Compound Detail

CHEMBL83800

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Cc1ccccc1S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL83800
Phase	Preclinical
Structure Type	MOL
InChI Key	RAXAJDPHDYMZJS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

348.8

MW (Da)

3.06

ALogP

HBA

HBD

93.0

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 6 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus 1 CHEMBL378	EC50	9.0	9.0	1.0	2
MT4 CHEMBL388	EC50	9.0	9.0	1.0	1
C8166 CHEMBL614533	EC50	8.3	6.2933	5.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus 1	EC50	=	1.0	nM	9.0	Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity	12773052
MT4	EC50	=	1.0	nM	9.0	Protection of infected MT-4 cells from wtIIIB-HIV-1-induced cytopathogenicity	15634015
Human immunodeficiency virus 1	EC50	=	1.0	nM	9.0	Antiviral activity against HIV1	16722636
C8166	EC50	=	5.0	nM	8.3	Anti-HIV activity to reduce the amount of p24 in WT IIIB infected C8166 cells	12773052
C8166	EC50	=	2600.0	nM	5.58	Anti-HIV activity to reduce the amount of p24 in C8166 cells infected with efavi...	12773052
C8166	EC50	=	10000.0	nM	5.0	Anti-HIV activity to reduce the amount of p24 in C8166 cells infected with efavi...	12773052

PubMed	DOI	Target Context	# Activities
12773052	10.1021/jm0211063	C8166	3
12773052	10.1021/jm0211063	Human immunodeficiency virus 1	2
12773052	10.1021/jm0211063	MT4	1
15634015	10.1021/jm040854k	MT4	1
16722636	10.1021/jm0512490	Human immunodeficiency virus 1	1

Data from ChEMBL 36 via Core Engine