Compound Detail

CHEMBL4247395

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O=C(N[C@@H](c1ccc(C(F)(F)F)c(F)c1)c1ncccc1C(F)(F)F)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4247395
Phase	Preclinical
Structure Type	MOL
InChI Key	FLZVLAPGXOLSCM-KRWDZBQOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

442.3

MW (Da)

5.78

ALogP

HBA

HBD

42.0

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319	IC50	7.57	7.57	27.0	1
Transient receptor potential cation channel subfamily M member 8 CHEMBL3108632	IC50	7.37	7.37	43.0	1

Parameter	Value	Units	Species
CL	29.0	mL.min-1.g-1	Homo sapiens
CL	57.0	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	=	27.0	nM	7.57	Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition...	30148953
Transient receptor potential cation channel subfamily M member 8	IC50	=	43.0	nM	7.37	Antagonist activity at mouse TRPM8 expressed in CHO cells assessed as inhibition...	30148953

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

Data from ChEMBL 36 via Core Engine