Compound Detail

CHEMBL4799891

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CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4799891
Phase	Preclinical
Structure Type	MOL
InChI Key	VJUGSZWVYVMRBR-WSUOKSENSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1088.3

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C55H73N15O9
MW	1088.29

Activity Summary

IC50 4 meas. best 7.39

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor 4 CHEMBL259	IC50	7.39	7.39	40.7	2
Melanocortin receptor 3 CHEMBL4644	IC50	6.98	6.98	104.7	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor 4	IC50	=	40.74	nM	7.39	Antagonist activity at human MC4R expressed in HEK293 cells expressing the GScAM...	33190475
Melanocortin receptor 4	IC50	=	41.0	nM	7.39	Antagonist activity at human MC4R expressed in HEK293 cells expressing the GScAM...	33190475
Melanocortin receptor 3	IC50	=	104.71	nM	6.98	Antagonist activity at human MC3R expressed in HEK293 cells expressing the GScAM...	33190475
Melanocortin receptor 3	IC50	=	105.0	nM	6.98	Antagonist activity at human MC3R expressed in HEK293 cells expressing the GScAM...	33190475

Literature References

PubMed	DOI	Target Context	# Activities
33190475	10.1021/acs.jmedchem.0c01620	Melanocortin receptor 3	2
33190475	10.1021/acs.jmedchem.0c01620	Melanocortin receptor 4	2
33190475	10.1021/acs.jmedchem.0c01620	Unchecked	1

Data from ChEMBL 36 via Core Engine