Compound Detail

CHEMBL3319108

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3319108
Phase	Preclinical
Structure Type	MOL
InChI Key	DBVDMBHCMBBPSR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

513.5

MW (Da)

4.84

ALogP

HBA

HBD

88.2

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 9.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	9.4	8.2375	0.4	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.4	nM	9.4	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhib...	25011915
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.84	nM	9.08	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhib...	25011915
Transient receptor potential cation channel subfamily V member 1	Ki	=	25.9	nM	7.59	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhib...	25011915
Transient receptor potential cation channel subfamily V member 1	Ki	=	130.8	nM	6.88	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhib...	25011915

PubMed	DOI	Target Context	# Activities
25011915	10.1016/j.bmcl.2014.05.072	Mus musculus	10
25011915	10.1016/j.bmcl.2014.05.072	Transient receptor potential cation channel subfamily V member 1	4

Data from ChEMBL 36 via Core Engine