Compound Detail

CHEMBL1602800

Enter ChEMBL ID:

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

O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1602800
Phase	Preclinical
Structure Type	MOL
InChI Key	GUGKIDSKXKWITI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

552.0

MW (Da)

4.71

ALogP

HBA

HBD

112.7

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 5.34

IC50 3 meas. best 5.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.7	5.7	2000.0	1
HEK293 CHEMBL614818	EC50	5.34	5.34	4529.0	1
Neuropeptide Y receptor type 1 CHEMBL4777	EC50	4.89	4.89	12746.0	1
Envelope glycoprotein gp160 CHEMBL1293311	IC50	4.87	4.87	13400.0	1
Unchecked CHEMBL612545	EC50	4.86	4.86	13676.0	2
Neuropeptide Y receptor type 2 CHEMBL4018	EC50	4.59	4.59	25591.0	1
Aminopeptidase N CHEMBL4117	IC50	4.35	4.35	44890.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	2000.0	nM	5.7	PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi...	-
HEK293	EC50	=	4529.0	nM	5.34	PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ...	-
Neuropeptide Y receptor type 1	EC50	=	12746.0	nM	4.89	PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y2: cell-...	-
Envelope glycoprotein gp160	IC50	=	13400.0	nM	4.87	PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno...	-
Unchecked	EC50	=	13782.0	nM	4.86	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito...	-
Unchecked	EC50	=	13676.0	nM	4.86	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi...	-
Neuropeptide Y receptor type 2	EC50	=	25591.0	nM	4.59	PUBCHEM_BIOASSAY: Fluorescence-based cell-based high-throughput dose response as...	-
Aminopeptidase N	IC50	=	44890.0	nM	4.35	PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep...	-

Data from ChEMBL 36 via Core Engine