Compound Detail

CHEMBL430655

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C=C1C[C@@H](C[N+](C)(C)C)O[C@H]1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL430655
Phase	Preclinical
Structure Type	MOL
InChI Key	RGRAFNWQVXZWHH-UWVGGRQHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

170.3

MW (Da)

1.43

ALogP

HBA

HBD

9.2

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	EC50	7.38	6.74	41.7	4
Rattus norvegicus CHEMBL376	EC50	6.78	6.455	166.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	EC50	=	41.69	nM	7.38	Muscarinic potency was measured in guinea pig ileum	1732547
Cavia porcellus	EC50	=	41.69	nM	7.38	Muscarinic potency was measured in guinea pig ileum	1732547
Rattus norvegicus	EC50	=	165.96	nM	6.78	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	165.96	nM	6.78	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	741.31	nM	6.13	Muscarinic potency was measured in rat bladder	1732547
Rattus norvegicus	EC50	=	741.31	nM	6.13	Muscarinic potency was measured in rat bladder	1732547
Cavia porcellus	EC50	=	794.33	nM	6.1	Muscarinic potency was measured in guinea pig atria	1732547
Cavia porcellus	EC50	=	794.33	nM	6.1	Muscarinic potency was measured in guinea pig atria	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