Compound Detail

CHEMBL5665419

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5665419
Phase	Preclinical
Structure Type	MOL
InChI Key	NHXLMOGPVYXJNR-WQIJAEMESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1637.9

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C76H104N18O19S2
MW	1637.91

Activity Summary

EC50 1 meas. best 6.42

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mas-related G-protein coupled receptor member X2 CHEMBL5849	EC50	6.42	6.42	380.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mas-related G-protein coupled receptor member X2	EC50	=	380.0	nM	6.42	Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in t...	28288109

Literature References

PubMed	DOI	Target Context	# Activities
28288109	10.1038/nchembio.2334	Mas-related G-protein coupled receptor member X2	1

Data from ChEMBL 36 via Core Engine