Compound Detail

CHEMBL506128

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CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL506128
Phase	Preclinical
Structure Type	BOTH
InChI Key	QYDAFJUKVGVEKO-PKOVDKIBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2839.3

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C130H184N38O31S2
MW	2839.27

Activity Summary

EC50 2 meas. best 6.1

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mas-related G-protein coupled receptor member X1 CHEMBL5850	EC50	6.1	6.1	794.3	1
Unchecked CHEMBL612545	EC50	4.5	4.5	31622.8	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mas-related G-protein coupled receptor member X1	EC50	=	794.33	nM	6.1	Agonist activity at human MrgX1 receptor	19230660
Unchecked	EC50	=	31622.78	nM	4.5	Agonist activity at monkey MrgX1 receptor	19230660

Literature References

PubMed	DOI	Target Context	# Activities
28288109	10.1038/nchembio.2334	Mas-related G-protein coupled receptor member X2	4
19230660	10.1016/j.bmcl.2009.01.085	Unchecked	3
19230660	10.1016/j.bmcl.2009.01.085	Mas-related G-protein coupled receptor member X1	2
19230660	10.1016/j.bmcl.2009.01.085	Mas-related G-protein coupled receptor member X2	1

Data from ChEMBL 36 via Core Engine