Compound Detail

CHEMBL323134

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CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL323134
Phase	Preclinical
Structure Type	MOL
InChI Key	RSZMNPKYJGGAMY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.4

MW (Da)

4.85

ALogP

HBA

HBD

54.0

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 9.52

IC50 1 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	9.52	8.69	0.3	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	8.52	8.52	3.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	0.3	nM	9.52	Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 ...	15149643
Transient receptor potential cation channel subfamily V member 1	IC50	=	3.0	nM	8.52	Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HE...	15149643
Transient receptor potential cation channel subfamily V member 1	Ki	=	13.8	nM	7.86	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced e...	25597011

PubMed	DOI	Target Context	# Activities
15149643	10.1016/s0960-894x(04)00533-5	Transient receptor potential cation channel subfamily V member 1	2
25597011	10.1016/j.bmcl.2014.12.086	Transient receptor potential cation channel subfamily V member 1	1

Data from ChEMBL 36 via Core Engine