Compound Detail

CHEMBL2178063

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CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2178063
Phase	Preclinical
Structure Type	MOL
InChI Key	TTZNKOBNEQGAFA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

518.6

MW (Da)

4.66

ALogP

HBA

HBD

91.4

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 9.7

IC50 1 meas. best 7.83

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	9.7	9.7	0.2	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	7.83	7.83	14.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.2	nM	9.7	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	22957803
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.2	nM	9.7	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664
Transient receptor potential cation channel subfamily V member 1	IC50	=	14.7	nM	7.83	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	22957803

PubMed	DOI	Target Context	# Activities
22957803	10.1021/jm300780p	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