Compound Detail

CHEMBL258906

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C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL258906
Phase	Preclinical
Structure Type	MOL
InChI Key	QHGCBDFMJKJBOZ-UTLUCORTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

202.3

MW (Da)

1.70

ALogP

HBA

HBD

9.2

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 5.45

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Muscarinic acetylcholine receptor M2 CHEMBL211	Ki	5.45	5.45	3548.1	1
Muscarinic acetylcholine receptor M1 CHEMBL216	Ki	4.85	4.85	14125.4	1
Muscarinic acetylcholine receptor M5 CHEMBL2035	Ki	4.63	4.63	23442.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Muscarinic acetylcholine receptor M2	Ki	=	3548.13	nM	5.45	Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells	18182302
Muscarinic acetylcholine receptor M1	Ki	=	14125.38	nM	4.85	Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells	18182302
Muscarinic acetylcholine receptor M5	Ki	=	23442.29	nM	4.63	Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells	18182302

PubMed	DOI	Target Context	# Activities
18182302	10.1016/j.bmc.2007.12.036	Muscarinic acetylcholine receptor M1	1
18182302	10.1016/j.bmc.2007.12.036	Muscarinic acetylcholine receptor M2	1
18182302	10.1016/j.bmc.2007.12.036	Muscarinic acetylcholine receptor M5	1

Data from ChEMBL 36 via Core Engine