Compound Detail

CHEMBL4764556

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C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4764556
Phase	Preclinical
Structure Type	MOL
InChI Key	YMFUSEKOQJBWKN-NETOACFBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

949.1

MW (Da)

-0.84

ALogP

HBA

HBD

294.4

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.96

Kd 2 meas. best 7.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor 4 CHEMBL3719	Kd	7.5	7.5	31.6	1
Melanocyte-stimulating hormone receptor CHEMBL4077	EC50	6.96	6.96	110.0	1
Melanocortin receptor 3 CHEMBL4774	Kd	6.9	6.9	125.9	1
Melanocortin receptor 5 CHEMBL4489	EC50	6.26	6.26	550.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor 4	Kd	=	31.62	nM	7.5	Antagonist activity at mouse MC4R assessed as antagonist potency by alphascreen ...	33062177
Melanocyte-stimulating hormone receptor	EC50	=	110.0	nM	6.96	Agonist activity at mouse MC1R by alphascreen cAMP assay	33062177
Melanocortin receptor 3	Kd	=	125.89	nM	6.9	Antagonist activity at mouse MC3R assessed as antagonist potency by alphascreen ...	33062177
Melanocortin receptor 5	EC50	=	550.0	nM	6.26	Agonist activity at mouse MC5R by alphascreen cAMP assay	33062177

PubMed	DOI	Target Context	# Activities
33062177	10.1021/acsmedchemlett.9b00641	Melanocyte-stimulating hormone receptor	2
33062177	10.1021/acsmedchemlett.9b00641	Melanocortin receptor 3	2
33062177	10.1021/acsmedchemlett.9b00641	Melanocortin receptor 4	2
33062177	10.1021/acsmedchemlett.9b00641	Melanocortin receptor 5	2

Data from ChEMBL 36 via Core Engine