Compound Detail

CHEMBL373373

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CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL373373
Phase	Preclinical
Structure Type	MOL
InChI Key	VKABGYBRCWCOAS-FUHWJXTLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

329.4

MW (Da)

2.64

ALogP

HBA

HBD

61.4

PSA (Å²)

0.89

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 4 meas. best 7.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	7.25	6.9367	56.0	3
Unchecked CHEMBL612545	EC50	6.33	6.33	470.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	56.0	nM	7.25	Negative inotropic activity against potassium-induced contraction in guinea pig ...	20509610
NON-PROTEIN TARGET	EC50	=	59.0	nM	7.23	Negative inotropic activity assessed as decrease in developed tension in isolate...	17228875
Unchecked	EC50	=	470.0	nM	6.33	Activity against alternating current-induced arrhythmia in guinea pig left atriu...	17228875
NON-PROTEIN TARGET	EC50	=	470.0	nM	6.33	Antiarrhythmic activity in sinusoidal alternating current-induced guinea pig lef...	20509610

PubMed	DOI	Target Context	# Activities
17228875	10.1021/jm060878m	Heart	20
20509610	10.1021/jm100298d	NON-PROTEIN TARGET	5
17228875	10.1021/jm060878m	NON-PROTEIN TARGET	3
17228875	10.1021/jm060878m	Unchecked	2
17228875	10.1021/jm060878m	Aorta	1
20509610	10.1021/jm100298d	Aorta	1

Data from ChEMBL 36 via Core Engine