Compound Detail

CHEMBL3627950

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CC(C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3627950
Phase	Preclinical
Structure Type	MOL
InChI Key	WIAXFFNFTIOWHI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

518.6

MW (Da)

5.67

ALogP

HBA

HBD

75.3

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.5

Ki 2 meas. best 10.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	10.52	10.02	0.0	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	7.5	7.465	32.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.03	nM	10.52	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.3	nM	9.52	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664
Transient receptor potential cation channel subfamily V member 1	IC50	=	32.0	nM	7.5	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664
Transient receptor potential cation channel subfamily V member 1	IC50	=	37.2	nM	7.43	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664

PubMed	DOI	Target Context	# Activities
26474664	10.1016/j.bmc.2015.10.001	Mus musculus	6
26474664	10.1016/j.bmc.2015.10.001	Transient receptor potential cation channel subfamily V member 1	4

Data from ChEMBL 36 via Core Engine