Compound Detail

CHEMBL317886

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C[C@H]1CC[C@@H](C[N+](C)(C)C)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL317886
Phase	Preclinical
Structure Type	MOL
InChI Key	UCRHCZYMNXEZGQ-IUCAKERBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

158.3

MW (Da)

1.26

ALogP

HBA

HBD

9.2

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 6.87

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	EC50	6.87	6.375	134.9	4
Rattus norvegicus CHEMBL376	EC50	6.19	5.905	645.6	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	EC50	=	134.9	nM	6.87	Muscarinic potency was measured in guinea pig ileum	1732547
Cavia porcellus	EC50	=	134.9	nM	6.87	Muscarinic potency was measured in guinea pig ileum	1732547
Rattus norvegicus	EC50	=	645.65	nM	6.19	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	645.65	nM	6.19	Muscarinic potency was measured in rat jejunum	1732547
Cavia porcellus	EC50	=	1318.26	nM	5.88	Muscarinic potency was measured in guinea pig atria	1732547
Cavia porcellus	EC50	=	1318.26	nM	5.88	Muscarinic potency was measured in guinea pig atria	1732547
Rattus norvegicus	EC50	=	2398.83	nM	5.62	Muscarinic potency was measured in rat bladder	1732547
Rattus norvegicus	EC50	=	2398.83	nM	5.62	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	1

Data from ChEMBL 36 via Core Engine