Compound Detail

CHEMBL36583

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CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL36583
Phase	Preclinical
Structure Type	MOL
InChI Key	LMNLCZMPOVGXTB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

398.5

MW (Da)

3.60

ALogP

HBA

HBD

67.9

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 8.7

Kd 1 meas. best 7.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Muscarinic acetylcholine receptor M2 CHEMBL309	Ki	8.7	8.7	2.0	1
Muscarinic acetylcholine receptor M1 CHEMBL2672	Ki	7.58	7.58	26.0	1
Muscarinic acetylcholine receptor M2 CHEMBL211	Kd	7.3	7.3	50.1	1
Cholinesterase CHEMBL1914	Ki	5.85	5.85	1400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Muscarinic acetylcholine receptor M2	Ki	=	2.0	nM	8.7	Binding affinity was determined from the inhibition of contraction of guinea pig...	2738887
Muscarinic acetylcholine receptor M1	Ki	=	26.0	nM	7.58	Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predomi...	2738887
Muscarinic acetylcholine receptor M2	Kd	=	50.12	nM	7.3	Antimuscarinic activity on the acetylcholine-induced inhibition of contraction o...	2738887
Cholinesterase	Ki	=	1400.0	nM	5.85	Anticholinesterase activity by their ability to inactivate human serum butyrylch...	2738887

PubMed	DOI	Target Context	# Activities
2738887	10.1021/jm00127a020	Muscarinic acetylcholine receptor M2	3
2738887	10.1021/jm00127a020	Cholinesterase	2
2738887	10.1021/jm00127a020	Muscarinic acetylcholine receptor M1	1

Data from ChEMBL 36 via Core Engine