Compound Detail

CHEMBL2337271

DONEPEZIL HYDROCHLORIDE MONOHYDRATE

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl.O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2337271
Name	DONEPEZIL HYDROCHLORIDE MONOHYDRATE
Phase	Preclinical
Structure Type	MOL
InChI Key	HLJIZAKUNCTCQX-UHFFFAOYSA-N
Parent Compound	CHEMBL502
Active Moiety	CHEMBL502

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

379.5

MW (Da)

4.36

ALogP

HBA

HBD

38.8

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Acetylcholinesterase CHEMBL4078	IC50	7.7	7.7	20.0	1
Acetylcholinesterase CHEMBL220	IC50	7.52	7.52	30.0	1
Cholinesterase CHEMBL1914	IC50	5.44	5.44	3600.0	1
Cholinesterase CHEMBL5763	IC50	5.12	5.12	7520.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Acetylcholinesterase	IC50	=	20.0	nM	7.7	Inhibition of electric eel AChE using acetylcholine iodide as substrate after 10...	23376249
Acetylcholinesterase	IC50	=	30.0	nM	7.52	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubate...	27951490
Cholinesterase	IC50	=	3600.0	nM	5.44	Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincu...	27951490
Cholinesterase	IC50	=	7520.0	nM	5.12	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate aft...	23376249

PubMed	DOI	Target Context	# Activities
23376249	10.1016/j.ejmech.2012.12.060	Unchecked	1
23376249	10.1016/j.ejmech.2012.12.060	Cholinesterase	1
23376249	10.1016/j.ejmech.2012.12.060	Acetylcholinesterase	1
27951490	10.1016/j.ejmech.2016.12.005	Acetylcholinesterase	1
27951490	10.1016/j.ejmech.2016.12.005	Cholinesterase	1

Data from ChEMBL 36 via Core Engine