Compound Detail

CHEMBL73418

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Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL73418
Phase	Preclinical
Structure Type	MOL
InChI Key	RMOKHHQCLRLRLE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

506.6

MW (Da)

3.92

ALogP

HBA

HBD

101.6

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 6.82

IC50 1 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	IC50	6.82	6.82	150.0	1
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	Ki	6.82	6.8067	151.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	IC50	=	150.0	nM	6.82	In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in v...	15081027
Transient receptor potential cation channel subfamily V member 1	Ki	=	151.0	nM	6.82	Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as cal...	18072720
Transient receptor potential cation channel subfamily V member 1	Ki	=	157.0	nM	6.8	Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells...	15081027
Transient receptor potential cation channel subfamily V member 1	Ki	=	157.0	nM	6.8	Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells	18072720

PubMed	DOI	Target Context	# Activities
15081027	10.1016/j.bmcl.2004.02.002	Transient receptor potential cation channel subfamily V member 1	5
18072720	10.1021/jm701049p	Transient receptor potential cation channel subfamily V member 1	3

Data from ChEMBL 36 via Core Engine