Compound Detail

CHEMBL2442924

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CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccccc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2442924
Phase	Preclinical
Structure Type	MOL
InChI Key	SRIVBTPJBMJUTC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

576.0

MW (Da)

5.98

ALogP

HBA

HBD

88.2

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 8.31

IC50 1 meas. best 6.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	8.31	8.31	4.9	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	6.21	6.21	620.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	4.9	nM	8.31	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	24035514
Transient receptor potential cation channel subfamily V member 1	Ki	=	4.9	nM	8.31	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664
Transient receptor potential cation channel subfamily V member 1	IC50	=	620.0	nM	6.21	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	24035514

PubMed	DOI	Target Context	# Activities
24035514	10.1016/j.bmc.2013.08.015	Transient receptor potential cation channel subfamily V member 1	2
26474664	10.1016/j.bmc.2015.10.001	Transient receptor potential cation channel subfamily V member 1	1

Data from ChEMBL 36 via Core Engine