Compound Detail

CHEMBL218250

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Cc1cc(C(=O)c2ccccc2)cc(C)c1NC(=O)C[C@@H]1CCCN2CCCC[C@H]12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL218250
Phase	Preclinical
Structure Type	MOL
InChI Key	HWYXZJZHDJDNEG-JTHBVZDNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

404.6

MW (Da)

5.13

ALogP

HBA

HBD

49.4

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 6 meas. best 6.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	6.12	5.672	760.0	5
Unchecked CHEMBL612545	EC50	5.32	5.32	4810.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	760.0	nM	6.12	Negative inotropic activity assessed as decrease in developed tension in isolate...	17228875
NON-PROTEIN TARGET	EC50	=	760.0	nM	6.12	Negative inotropic activity against potassium-induced contraction in guinea pig ...	20509610
NON-PROTEIN TARGET	EC50	=	3980.0	nM	5.4	Negative chronotropic activity assessed as decrease in atrial rate in isolated g...	17228875
NON-PROTEIN TARGET	EC50	=	3980.0	nM	5.4	Negative chronotropic activity against potassium-induced contraction in guinea p...	20509610
Unchecked	EC50	=	4810.0	nM	5.32	Activity against alternating current-induced arrhythmia in guinea pig left atriu...	17228875
NON-PROTEIN TARGET	EC50	=	4810.0	nM	5.32	Antiarrhythmic activity in sinusoidal alternating current-induced guinea pig lef...	20509610

PubMed	DOI	Target Context	# Activities
20509610	10.1021/jm100298d	NON-PROTEIN TARGET	6
17228875	10.1021/jm060878m	NON-PROTEIN TARGET	4
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