Compound Detail

CHEMBL3407762

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CCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3407762
Phase	Preclinical
Structure Type	MOL
InChI Key	LJTWPGNEUJLDBK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

508.0

MW (Da)

4.48

ALogP

HBA

HBD

97.4

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.15

Ki 2 meas. best 10.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	10.7	10.11	0.0	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	8.15	8.115	7.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.02	nM	10.7	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	25659771
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.3	nM	9.52	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	25659771
Transient receptor potential cation channel subfamily V member 1	IC50	=	7.0	nM	8.15	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	25659771
Transient receptor potential cation channel subfamily V member 1	IC50	=	8.3	nM	8.08	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	25659771

PubMed	DOI	Target Context	# Activities
25659771	10.1016/j.ejmech.2015.02.001	Transient receptor potential cation channel subfamily V member 1	4
25659771	10.1016/j.ejmech.2015.02.001	Mus musculus	3

Data from ChEMBL 36 via Core Engine