Compound Detail

CHEMBL4781687

Enter ChEMBL ID:

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

CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4781687
Phase	Preclinical
Structure Type	MOL
InChI Key	DPMRJPMKHJGTMZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

459.5

MW (Da)

4.50

ALogP

HBA

HBD

90.1

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.57

Ki 2 meas. best 9.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	9.57	9.57	0.3	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	9.14	8.77	0.7	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	IC50	=	0.27	nM	9.57	Antagonist activity at human TRPV1 expressed in HEK cells assessed as inhibition...	33385210
Transient receptor potential cation channel subfamily V member 1	IC50	=	0.27	nM	9.57	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assesse...	38355061
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.72	nM	9.14	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells	33385210
Transient receptor potential cation channel subfamily V member 1	Ki	=	3.94	nM	8.4	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	33385210

PubMed	DOI	Target Context	# Activities
33385210	10.1021/acs.jmedchem.0c00982	Transient receptor potential cation channel subfamily V member 1	4
38355061	10.1016/j.bmcl.2024.129656	Transient receptor potential cation channel subfamily V member 1	2
33385210	10.1021/acs.jmedchem.0c00982	Mus musculus	1

Data from ChEMBL 36 via Core Engine