Compound Detail

CHEMBL2087057

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Cc1ccc(C(C)C)c(C(=O)NCCc2ccccc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2087057
Phase	Preclinical
Structure Type	MOL
InChI Key	DWLZUEABXCINMW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

281.4

MW (Da)

4.09

ALogP

HBA

HBD

29.1

PSA (Å²)

0.88

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.5

EC50 1 meas. best 6.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily M member 8 CHEMBL5011	EC50	6.57	6.57	270.0	1
Transient receptor potential cation channel subfamily M member 8 CHEMBL5011	IC50	6.5	6.36	320.0	2
Unchecked CHEMBL612545	IC50	4.12	4.12	75400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily M member 8	EC50	=	270.0	nM	6.57	Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of int...	22503249
Transient receptor potential cation channel subfamily M member 8	IC50	=	320.0	nM	6.5	Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 20 uM...	22503249
Transient receptor potential cation channel subfamily M member 8	IC50	=	600.0	nM	6.22	Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 0.25 ...	22503249
Unchecked	IC50	=	75400.0	nM	4.12	Inhibition of rat TRPV3 expressed in HEK293 cells assessed as reduction in 100 u...	22503249

PubMed	DOI	Target Context	# Activities
22503249	10.1016/j.bmcl.2012.03.055	Transient receptor potential cation channel subfamily M member 8	4
22503249	10.1016/j.bmcl.2012.03.055	Unchecked	3
22503249	10.1016/j.bmcl.2012.03.055	Transient receptor potential cation channel subfamily A member 1	3

Data from ChEMBL 36 via Core Engine