Compound Detail

CHEMBL3393837

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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3cnccc23)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3393837
Phase	Preclinical
Structure Type	MOL
InChI Key	UVRHQIVWBOGHIJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

443.5

MW (Da)

5.21

ALogP

HBA

HBD

70.2

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 10.7

IC50 1 meas. best 9.26

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	10.7	10.2	0.0	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	9.26	9.26	0.6	1

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 assessed as inhibition of NADA-induced effect...	25597011
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.2	nM	9.7	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced e...	25597011
Transient receptor potential cation channel subfamily V member 1	IC50	=	0.55	nM	9.26	Antagonist activity at human TRPV1 assessed as inhibition of 45 degC heat-induce...	25597011

PubMed	DOI	Target Context	# Activities
25597011	10.1016/j.bmcl.2014.12.086	Transient receptor potential cation channel subfamily V member 1	4
25597011	10.1016/j.bmcl.2014.12.086	Mus musculus	2

Data from ChEMBL 36 via Core Engine