Compound Detail

CHEMBL428615

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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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL428615
Phase	Preclinical
Structure Type	BOTH
InChI Key	UMJZICCVSZNIFJ-MYGWSCCLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1042.2

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H68FN15O9
MW	1042.19

Activity Summary

EC50 7 meas. best 10.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocyte-stimulating hormone receptor CHEMBL3795	EC50	10.8	10.5333	0.0	3
Melanocortin receptor 4 CHEMBL259	EC50	10.72	10.72	0.0	1
Melanocyte-stimulating hormone receptor CHEMBL4077	EC50	10.59	10.59	0.0	1
Melanocortin receptor 3 CHEMBL4644	EC50	9.72	9.72	0.2	1
Melanocortin receptor 5 CHEMBL4489	EC50	8.87	8.87	1.4	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocyte-stimulating hormone receptor	EC50	=	0.016	nM	10.8	Evaluated for agonist activity against human Melanocortin 1 receptor using hMC1-...	7658432
Melanocyte-stimulating hormone receptor	EC50	=	0.016	nM	10.8	Evaluated for agonist activity at cloned mammalian human MSH1 receptor	7658432
Melanocortin receptor 4	EC50	=	0.019	nM	10.72	Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor	7658432
Melanocyte-stimulating hormone receptor	EC50	=	0.026	nM	10.59	Evaluated for agonist activity against mouse Melanocortin 1 receptor using mMC1R...	7658432
Melanocyte-stimulating hormone receptor	EC50	=	0.1	nM	10.0	Evaluated for agonist at cloned mammalian Melanocortin 1 receptor in frog (Rana ...	7658432
Melanocortin receptor 3	EC50	=	0.191	nM	9.72	Evaluated for agonist activity at cloned Melanocortin 3 receptor	7658432
Melanocortin receptor 5	EC50	=	1.36	nM	8.87	Evaluated for agonist activity at cloned mammalian mouse Melanocortin 5 receptor	7658432

Literature References

PubMed	DOI	Target Context	# Activities
7658432	10.1021/jm00018a005	Melanocyte-stimulating hormone receptor	4
7658432	10.1021/jm00018a005	Melanocortin receptor 3	1
7658432	10.1021/jm00018a005	Melanocortin receptor 4	1
7658432	10.1021/jm00018a005	Melanocortin receptor 5	1

Data from ChEMBL 36 via Core Engine