Compound Detail

CHEMBL4850889

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O=C(O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4850889
Phase	Preclinical
Structure Type	MOL
InChI Key	GRBXPEMNWYLEBF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

331.7

MW (Da)

4.03

ALogP

HBA

HBD

59.4

PSA (Å²)

0.92

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mas-related G-protein coupled receptor member X4 CHEMBL4523430	IC50	8.3	8.1267	5.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mas-related G-protein coupled receptor member X4	IC50	=	5.0	nM	8.3	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-
Mas-related G-protein coupled receptor member X4	IC50	=	5.0	nM	8.3	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	=	9.0	nM	8.05	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...	-
Mas-related G-protein coupled receptor member X4	IC50	=	11.0	nM	7.96	Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo...	-

Data from ChEMBL 36 via Core Engine