Compound Detail

CHEMBL105198

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C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL105198
Phase	Preclinical
Structure Type	MOL
InChI Key	XKOQIVSZENKHPJ-YUMQZZPRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

172.2

MW (Da)

0.44

ALogP

HBA

HBD

26.3

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	EC50	9.0	8.81	1.0	4
Rattus norvegicus CHEMBL376	EC50	7.89	6.835	12.9	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	EC50	=	1.0	nM	9.0	Muscarinic potency was measured in guinea pig ileum	1732547
Cavia porcellus	EC50	=	1.0	nM	9.0	Muscarinic potency was measured in guinea pig ileum	1732547
Cavia porcellus	EC50	=	2.399	nM	8.62	Muscarinic potency was measured in guinea pig atria	1732547
Cavia porcellus	EC50	=	2.399	nM	8.62	Muscarinic potency was measured in guinea pig atria	1732547
Rattus norvegicus	EC50	=	12.88	nM	7.89	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	12.88	nM	7.89	Muscarinic potency was measured in rat jejunum	1732547
Rattus norvegicus	EC50	=	52.48	nM	7.28	Muscarinic potency was measured in rat bladder	1732547
Rattus norvegicus	EC50	=	52480.75	nM	4.28	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