Compound Detail

CHEMBL361931

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CC(C)(C)c1ccc(C/N=C(\S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL361931
Phase	Preclinical
Structure Type	MOL
InChI Key	CKQUVPQLAGYFMY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

440.0

MW (Da)

4.58

ALogP

HBA

HBD

70.6

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 6.4

IC50 1 meas. best 8.08

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	IC50	8.08	8.08	8.4	1
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	Ki	6.4	6.17	400.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	IC50	=	8.4	nM	8.08	Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neuron...	16134949
Transient receptor potential cation channel subfamily V member 1	Ki	=	400.0	nM	6.4	Antagonist activity for rat TRPV1 expressed in CHO cells	16005215
Transient receptor potential cation channel subfamily V member 1	Ki	=	1160.0	nM	5.94	In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX	16005215

PubMed	DOI	Target Context	# Activities
16005215	10.1016/j.bmcl.2005.06.009	Transient receptor potential cation channel subfamily V member 1	3
16134949	10.1021/jm0502790	Transient receptor potential cation channel subfamily V member 1	1

Data from ChEMBL 36 via Core Engine