Compound Detail

CHEMBL4878726

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N#Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4878726
Phase	Preclinical
Structure Type	MOL
InChI Key	LVVXGZHNCFJNKF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

355.7

MW (Da)

4.51

ALogP

HBA

HBD

70.3

PSA (Å²)

0.88

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mas-related G-protein coupled receptor member X4 CHEMBL4523430	IC50	8.52	8.198	3.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mas-related G-protein coupled receptor member X4	IC50	=	3.0	nM	8.52	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-
Mas-related G-protein coupled receptor member X4	IC50	=	6.0	nM	8.22	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-
Mas-related G-protein coupled receptor member X4	IC50	=	7.0	nM	8.15	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-
Mas-related G-protein coupled receptor member X4	IC50	=	8.0	nM	8.1	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-
Mas-related G-protein coupled receptor member X4	IC50	=	10.0	nM	8.0	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-

Data from ChEMBL 36 via Core Engine