Compound Detail

CHEMBL2153415

Enter ChEMBL ID:

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

Clc1ccc2c(NC3CCN(Cc4ccccc4)CC3)c3c(nc2c1)CCCC3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2153415
Phase	Preclinical
Structure Type	MOL
InChI Key	FQHHAMFIEBQPSP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

406.0

MW (Da)

5.84

ALogP

HBA

HBD

28.2

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	6.38	6.19	420.0	3
HT-22 CHEMBL614316	EC50	4.7	4.7	19880.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	420.0	nM	6.38	Antiprion activity against mouse prion protein 22L infected mouse N167 cells ass...	21531054
NON-PROTEIN TARGET	EC50	=	540.0	nM	6.27	Antiprion activity against mouse prion protein RML infected mouse ScN2a cells as...	21531054
NON-PROTEIN TARGET	EC50	=	1190.0	nM	5.92	Antiprion activity against human prion protein Fukuoka-1 infected mouse F3 cells...	21531054
HT-22	EC50	=	19880.0	nM	4.7	Cytotoxicity against mouse HT22 cells after 24 hrs by MTT assay	24602904

PubMed	DOI	Target Context	# Activities
21531054	10.1016/j.ejmech.2011.04.016	NON-PROTEIN TARGET	6
24602904	10.1016/j.bmcl.2014.02.006	HT-22	2
21531054	10.1016/j.ejmech.2011.04.016	N2a	1
21531054	10.1016/j.ejmech.2011.04.016	Major prion protein	1
21531054	10.1016/j.ejmech.2011.04.016	ADMET	1

Data from ChEMBL 36 via Core Engine