Compound Detail

CHEMBL3627723

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C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3627723
Phase	Preclinical
Structure Type	MOL
InChI Key	JQZMWSZSMXCCMZ-HNNXBMFYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

532.6

MW (Da)

6.06

ALogP

HBA

HBD

75.3

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.14

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	8.14	7.915	7.3	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	=	7.3	nM	8.14	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse...	26474664
Transient receptor potential cation channel subfamily V member 1	IC50	=	20.4	nM	7.69	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	5
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