Compound Detail

CHEMBL4238921

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COc1ccc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2C(F)(F)F)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4238921
Phase	Preclinical
Structure Type	MOL
InChI Key	OOCHUFGLVITKLT-KRWDZBQOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

455.4

MW (Da)

5.04

ALogP

HBA

HBD

64.1

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319	IC50	7.82	7.82	15.0	1
Transient receptor potential cation channel subfamily M member 8 CHEMBL3108632	IC50	7.62	7.62	24.0	1

Parameter	Value	Units	Species
CL	15.0	mL.min-1.g-1	Homo sapiens
CL	18.0	mL.min-1.g-1	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily M member 8	IC50	=	15.0	nM	7.82	Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition...	30148953
Transient receptor potential cation channel subfamily M member 8	IC50	=	24.0	nM	7.62	Antagonist activity at mouse TRPM8 expressed in CHO cells assessed as inhibition...	30148953

PubMed	DOI	Target Context	# Activities
30148953	10.1021/acs.jmedchem.8b00518	Nuclear receptor subfamily 1 group I member 2	3
30148953	10.1021/acs.jmedchem.8b00518	ADMET	2
30148953	10.1021/acs.jmedchem.8b00518	Transient receptor potential cation channel subfamily M member 8	2

Data from ChEMBL 36 via Core Engine