Compound Detail

CHEMBL84522

Enter ChEMBL ID:

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

CC(C)(C)c1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL84522
Phase	Preclinical
Structure Type	MOL
InChI Key	ZSFZVBXXRRWRJB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.9

MW (Da)

4.05

ALogP

HBA

HBD

93.0

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 6.89

IC50 1 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus 1 CHEMBL378	EC50	6.89	6.89	130.0	2
Human immunodeficiency virus 1 CHEMBL378	IC50	6.89	6.89	130.0	1
MT4 CHEMBL388	EC50	6.89	6.89	130.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus 1	EC50	=	130.0	nM	6.89	Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity	12773052
MT4	EC50	=	130.0	nM	6.89	Protection of infected MT-4 cells from wtIIIB-HIV-1-induced cytopathogenicity	15634015
Human immunodeficiency virus 1	EC50	=	130.0	nM	6.89	Antiviral activity against HIV1	16722636
Human immunodeficiency virus 1	IC50	=	130.0	nM	6.89	Antiviral activity against HIV1	19112024

PubMed	DOI	Target Context	# Activities
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
19112024	10.1016/j.bmc.2008.11.075	Human immunodeficiency virus 1	1

Data from ChEMBL 36 via Core Engine