Compound Detail

CHEMBL267794

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CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL267794
Phase	Preclinical
Structure Type	BOTH
InChI Key	UXUHFYAAKVDWBE-BWBQVKFQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

928.1

MW (Da)

-0.56

ALogP

HBA

HBD

363.9

PSA (Å²)

0.02

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 10.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocyte-stimulating hormone receptor CHEMBL4077	EC50	10.47	10.47	0.0	1
Melanocortin receptor 3 CHEMBL4774	EC50	9.59	9.59	0.3	1
Melanocortin receptor 5 CHEMBL4489	EC50	9.41	9.41	0.4	1
Melanocortin receptor 4 CHEMBL3719	EC50	9.35	9.35	0.5	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocyte-stimulating hormone receptor	EC50	=	0.034	nM	10.47	Functional activity at the mouse melanocortin 1 receptor	11405661
Melanocortin receptor 3	EC50	=	0.26	nM	9.59	Functional activity at the mouse melanocortin 3 receptor	11405661
Melanocortin receptor 5	EC50	=	0.39	nM	9.41	Functional activity at the mouse melanocortin 5 receptor	11405661
Melanocortin receptor 4	EC50	=	0.45	nM	9.35	Functional activity at the mouse melanocortin 4 receptor	11405661

PubMed	DOI	Target Context	# Activities
11405661	10.1021/jm010061n	Melanocyte-stimulating hormone receptor	1
11405661	10.1021/jm010061n	Melanocortin receptor 3	1
11405661	10.1021/jm010061n	Melanocortin receptor 4	1
11405661	10.1021/jm010061n	Melanocortin receptor 5	1

Data from ChEMBL 36 via Core Engine