Compound Detail

CHEMBL341982

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CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL341982
Phase	Preclinical
Structure Type	MOL
InChI Key	PULMVELKNAGMQU-RUZDIDTESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

529.1

MW (Da)

3.80

ALogP

HBA

HBD

83.4

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 7.4

IC50 1 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor 4 CHEMBL259	IC50	8.0	8.0	10.0	1
Melanocortin receptor 4 CHEMBL259	EC50	7.4	7.4	40.0	2
HEK293 CHEMBL614818	EC50	7.4	7.4	40.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor 4	IC50	=	10.0	nM	8.0	Binding activity was measured using membranes of Hi5 cells expressing the human ...	14643322
Melanocortin receptor 4	EC50	=	40.0	nM	7.4	Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R recep...	14643322
HEK293	EC50	=	40.0	nM	7.4	Antagonist activity towards alpha-MSH stimulated accumulation of cAMP in HEK 293...	15664867
Melanocortin receptor 4	EC50	=	40.0	nM	7.4	Effective concentration against cAMP release in CHO cells expressing human melan...	15357964

PubMed	DOI	Target Context	# Activities
14643322	10.1016/j.bmcl.2003.09.036	Melanocortin receptor 4	2
15357964	10.1016/j.bmcl.2004.06.059	Melanocortin receptor 4	2
14643322	10.1016/j.bmcl.2003.09.036	Unchecked	1
15664867	10.1016/j.bmcl.2004.10.096	HEK293	1

Data from ChEMBL 36 via Core Engine