Compound Detail

CHEMBL2115441

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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](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2115441
Phase	Preclinical
Structure Type	BOTH
InChI Key	WZIILWAZGXRRFZ-JYNRXONWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1095.3

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C53H74N16O10
MW	1095.28

Activity Summary

EC50 4 meas. best 10.01

IC50 4 meas. best 9.46

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocyte-stimulating hormone receptor CHEMBL3795	EC50	10.01	10.01	0.1	1
Melanocyte-stimulating hormone receptor CHEMBL3795	IC50	9.46	9.46	0.3	1
Melanocortin receptor 4 CHEMBL259	IC50	9.05	9.05	0.9	1
Melanocortin receptor 4 CHEMBL259	EC50	8.6	8.6	2.5	1
Melanocortin receptor 5 CHEMBL4608	EC50	8.22	8.22	6.0	1
Melanocortin receptor 5 CHEMBL4608	IC50	7.61	7.61	24.8	1
Melanocortin receptor 3 CHEMBL4644	IC50	7.59	7.59	25.5	1
Melanocortin receptor 3 CHEMBL4644	EC50	7.56	7.56	27.6	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocyte-stimulating hormone receptor	EC50	=	0.098	nM	10.01	Effective concentration for intracellular cAMP accumulation in L-cells expressin...	9171884
Melanocyte-stimulating hormone receptor	IC50	=	0.35	nM	9.46	Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)	9171884
Melanocortin receptor 4	IC50	=	0.89	nM	9.05	Inhibitory concentration against human Melanocortin 4 receptor (hMC4R)	9171884
Melanocortin receptor 4	EC50	=	2.52	nM	8.6	Effective concentration for intracellular cAMP accumulation in L-cells expressin...	9171884
Melanocortin receptor 5	EC50	=	6.01	nM	8.22	Effective concentration that was able to generate 50% maximal intracellular cAMP...	9171884
Melanocortin receptor 5	IC50	=	24.8	nM	7.61	Inhibitory concentration against human Melanocortin 5 receptor (hMC5R)	9171884
Melanocortin receptor 3	IC50	=	25.5	nM	7.59	Inhibitory concentration against human Melanocortin 3 receptor (hMC3R)	9171884
Melanocortin receptor 3	EC50	=	27.6	nM	7.56	Effective concentration that was able to generate 50% maximal intracellular cAMP...	9171884

Literature References

PubMed	DOI	Target Context	# Activities
9171884	10.1021/jm960845e	Melanocyte-stimulating hormone receptor	2
9171884	10.1021/jm960845e	Melanocortin receptor 3	2
9171884	10.1021/jm960845e	Melanocortin receptor 4	2
9171884	10.1021/jm960845e	Melanocortin receptor 5	2

Data from ChEMBL 36 via Core Engine