Compound Detail

CHEMBL4874540

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Clc1ccc(OCc2cccc(-c3nnn[nH]3)c2)c(Cl)c1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4874540
Phase	Preclinical
Structure Type	MOL
InChI Key	QIRSZXZBFHGCPZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

355.6

MW (Da)

4.41

ALogP

HBA

HBD

63.7

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 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	8.198	5.0	5

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	=	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	=	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...	-

Data from ChEMBL 36 via Core Engine