Compound Detail

CHEMBL3350330

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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]([C@@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3350330
Phase	Preclinical
Structure Type	BOTH
InChI Key	MCTYNMAXUZDSBU-OVNDDPABSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1038.2

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C51H71N15O9
MW	1038.22

Activity Summary

EC50 2 meas. best 10.22

IC50 1 meas. best 8.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocyte-stimulating hormone receptor CHEMBL3795	EC50	10.22	9.61	0.1	2
Melanocyte-stimulating hormone receptor CHEMBL3795	IC50	8.52	8.52	3.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	2.25	-	-

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocyte-stimulating hormone receptor	EC50	=	0.06	nM	10.22	Effective concentration for the effect of Melanocortin 1 receptor in the frog sk...	7473600
Melanocyte-stimulating hormone receptor	EC50	=	1.0	nM	9.0	Effective concentration against Melanocortin 1 receptor transfected into L-cells...	7473600
Melanocyte-stimulating hormone receptor	IC50	=	3.0	nM	8.52	The concentration that inhibits 50% specific binding was determined against the ...	7473600

Literature References

PubMed	DOI	Target Context	# Activities
7473600	10.1021/jm00023a012	Melanocyte-stimulating hormone receptor	6
7473600	10.1021/jm00023a012	ADMET	3

Data from ChEMBL 36 via Core Engine