Compound Detail

CHEMBL2369971

Enter ChEMBL ID:

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

C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2369971
Phase	Preclinical
Structure Type	MOL
InChI Key	SEYGCFZCZOOPJP-PPTGEIPLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1446.6

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C72H87N17O16
MW	1446.59

Activity Summary

EC50 3 meas. best 9.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor 4 CHEMBL3719	EC50	9.2	9.2	0.6	1
Melanocortin receptor 5 CHEMBL4489	EC50	8.14	8.14	7.2	1
Melanocyte-stimulating hormone receptor CHEMBL4077	EC50	7.66	7.66	22.1	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor 4	EC50	=	0.63	nM	9.2	Effective concentration for mouse Melanocortin-4 receptor	15828845
Melanocortin receptor 5	EC50	=	7.16	nM	8.14	Effective concentration for mouse Melanocortin-5 receptor	15828845
Melanocyte-stimulating hormone receptor	EC50	=	22.1	nM	7.66	Effective concentration for mouse Melanocortin-1 receptor	15828845

Literature References

PubMed	DOI	Target Context	# Activities
15828845	10.1021/jm049010r	Melanocyte-stimulating hormone receptor	1
15828845	10.1021/jm049010r	Melanocortin receptor 3	1
15828845	10.1021/jm049010r	Melanocortin receptor 4	1
15828845	10.1021/jm049010r	Melanocortin receptor 5	1

Data from ChEMBL 36 via Core Engine