Compound Detail

CHEMBL321136

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CN1OC(C[N+](C)(C)C)CC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL321136
Phase	Preclinical
Structure Type	MOL
InChI Key	FAGZCSGAOSXRLD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

173.2

MW (Da)

-0.15

ALogP

HBA

HBD

29.5

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 7.95

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	EC50	7.95	7.785	11.2	4
Rattus norvegicus CHEMBL376	EC50	7.13	6.785	74.1	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	EC50	=	11.22	nM	7.95	Muscarinic potency was measured in guinea pig ileum	1732547
Cavia porcellus	EC50	=	11.22	nM	7.95	Muscarinic potency was measured in guinea pig ileum	1732547
Cavia porcellus	EC50	=	23.99	nM	7.62	Muscarinic potency was measured in guinea pig atria	1732547
Cavia porcellus	EC50	=	23.99	nM	7.62	Muscarinic potency was measured in guinea pig atria	1732547
Rattus norvegicus	EC50	=	74.13	nM	7.13	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	74.13	nM	7.13	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	363.08	nM	6.44	Muscarinic potency was measured in rat bladder	1732547
Rattus norvegicus	EC50	=	363.08	nM	6.44	Muscarinic potency was measured in rat bladder	1732547

PubMed	DOI	Target Context	# Activities
1732547	10.1021/jm00080a015	Cavia porcellus	4
1732547	10.1021/jm00080a015	Rattus norvegicus	4
1732547	10.1021/jm00080a015	Unchecked	2

Data from ChEMBL 36 via Core Engine