Compound Detail

CHEMBL2385408

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CC(C)COc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2385408
Phase	Preclinical
Structure Type	MOL
InChI Key	YYYUBLPWJUJOSR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

491.5

MW (Da)

4.07

ALogP

HBA

HBD

97.4

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.28

Ki 2 meas. best 9.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	9.54	9.42	0.3	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	7.28	7.225	52.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.29	nM	9.54	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	23685943
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.5	nM	9.3	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	23685943
Transient receptor potential cation channel subfamily V member 1	IC50	=	52.6	nM	7.28	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	23685943
Transient receptor potential cation channel subfamily V member 1	IC50	=	67.5	nM	7.17	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti...	23685943

PubMed	DOI	Target Context	# Activities
23685943	10.1016/j.ejmech.2013.04.003	Transient receptor potential cation channel subfamily V member 1	4
23685943	10.1016/j.ejmech.2013.04.003	Mus musculus	2

Data from ChEMBL 36 via Core Engine