Compound Detail

CHEMBL501592

Enter ChEMBL ID:

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

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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL501592
Phase	Preclinical
Structure Type	BOTH
InChI Key	REMHNXQVRVXAGT-ZYVZXDBOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1091.3

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C54H74N16O9
MW	1091.29

Activity Summary

EC50 4 meas. best 9.52

IC50 4 meas. best 9.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor 5 CHEMBL4608	EC50	9.52	9.52	0.3	1
Melanocortin receptor 5 CHEMBL4608	IC50	9.15	9.15	0.7	1
Melanocortin receptor 4 CHEMBL259	IC50	8.82	8.82	1.5	1
Melanocyte-stimulating hormone receptor CHEMBL3795	IC50	8.64	8.64	2.3	1
Melanocortin receptor 3 CHEMBL4644	IC50	8.64	8.64	2.3	1
Melanocortin receptor 3 CHEMBL4644	EC50	6.89	6.89	130.0	1
Melanocortin receptor 4 CHEMBL259	EC50	6.7	6.7	200.0	1
Melanocyte-stimulating hormone receptor CHEMBL3795	EC50	6.21	6.21	620.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor 5	EC50	=	0.3	nM	9.52	Agonist activity at human MC5R expressed in HEK293 cells assessed as stimulation...	19473029
Melanocortin receptor 5	IC50	=	0.7	nM	9.15	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC5R expressed in HEK293...	19473029
Melanocortin receptor 4	IC50	=	1.5	nM	8.82	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293...	19473029
Melanocyte-stimulating hormone receptor	IC50	=	2.3	nM	8.64	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293...	19473029
Melanocortin receptor 3	IC50	=	2.3	nM	8.64	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC3R expressed in HEK293...	19473029
Melanocortin receptor 3	EC50	=	130.0	nM	6.89	Agonist activity at human MC3R expressed in HEK293 cells assessed as stimulation...	19473029
Melanocortin receptor 4	EC50	=	200.0	nM	6.7	Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation...	19473029
Melanocyte-stimulating hormone receptor	EC50	=	620.0	nM	6.21	Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation...	19473029

Literature References

PubMed	DOI	Target Context	# Activities
19473029	10.1021/jm801300c	Melanocortin receptor 3	3
19473029	10.1021/jm801300c	Melanocortin receptor 4	3
19473029	10.1021/jm801300c	Melanocortin receptor 5	3
19473029	10.1021/jm801300c	Melanocyte-stimulating hormone receptor	3

Data from ChEMBL 36 via Core Engine