Compound Detail

CHEMBL370807

Enter ChEMBL ID:

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

O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL370807
Phase	Preclinical
Structure Type	MOL
InChI Key	DIHZVMMPFILOAT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

470.6

MW (Da)

5.63

ALogP

HBA

HBD

90.0

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 9.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Acetylcholinesterase CHEMBL220	IC50	9.35	9.35	0.5	1
Cholinesterase CHEMBL1914	IC50	9.0	9.0	1.0	1
Butyrylcholinesterase CHEMBL5077	IC50	8.46	8.46	3.5	1
Acetylcholinesterase CHEMBL4768	IC50	7.46	7.46	35.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Acetylcholinesterase	IC50	=	0.45	nM	9.35	Inhibition of human AChE	16420031
Cholinesterase	IC50	=	1.0	nM	9.0	Inhibition of human BuChE	16420031
Butyrylcholinesterase	IC50	=	3.5	nM	8.46	Inhibition of BuChE from horse serum	16420031
Acetylcholinesterase	IC50	=	35.0	nM	7.46	Inhibition of AchE from bovine erythrocytes	16420031

PubMed	DOI	Target Context	# Activities
16420031	10.1021/jm050746d	Acetylcholinesterase	2
30744931	10.1016/j.bmc.2019.01.025	Acetylcholinesterase	2
16420031	10.1021/jm050746d	Butyrylcholinesterase	1
16420031	10.1021/jm050746d	Cholinesterase	1
16420031	10.1021/jm050746d	Cholinesterases; ACHE & BCHE	1
16420031	10.1021/jm050746d	ADMET	1

Data from ChEMBL 36 via Core Engine