Compound Detail

CHEMBL2070373

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(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=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](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2070373
Phase	Preclinical
Structure Type	MOL
InChI Key	MCJFEKJJFCZAHM-ULZYBQICSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2005.3

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C94H141N25O24
MW	2005.31

Activity Summary

Ki 4 meas. best 8.11

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor 4 CHEMBL259	Ki	8.11	8.11	7.8	1
Melanocortin receptor 5 CHEMBL4608	Ki	6.96	6.96	110.0	1
Melanocortin receptor 3 CHEMBL4644	Ki	6.35	6.35	450.0	1
Melanocyte-stimulating hormone receptor CHEMBL3795	Ki	5.09	5.09	8100.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor 4	Ki	=	7.8	nM	8.11	Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma coun...	22335602
Melanocortin receptor 5	Ki	=	110.0	nM	6.96	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human M...	22335602
Melanocortin receptor 3	Ki	=	450.0	nM	6.35	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor express...	22335602
Melanocyte-stimulating hormone receptor	Ki	=	8100.0	nM	5.09	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor express...	22335602

Literature References

PubMed	DOI	Target Context	# Activities
22335602	10.1021/jm201489a	Rattus norvegicus	3
22335602	10.1021/jm201489a	Melanocortin receptor 4	2
22335602	10.1021/jm201489a	Melanocyte-stimulating hormone receptor	1
22335602	10.1021/jm201489a	Melanocortin receptor 3	1
22335602	10.1021/jm201489a	Melanocortin receptor 5	1

Data from ChEMBL 36 via Core Engine