Compound Detail

CHEMBL472129

Enter ChEMBL ID:

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

COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N4CCN(C)CC4)c3)c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL472129
Phase	Preclinical
Structure Type	MOL
InChI Key	ZONHGCWWESPZLG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

433.0

MW (Da)

5.55

ALogP

HBA

HBD

40.6

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 6 meas. best 6.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	6.54	6.1775	290.0	4
HT-22 CHEMBL614316	EC50	6.48	5.89	330.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	290.0	nM	6.54	Antiprion activity against scrapie prion protein RML infected mouse ScN2a cells ...	18556207
HT-22	EC50	=	330.0	nM	6.48	Neuroprotective activity in mouse HT22 cells assessed as protection against glut...	24602904
NON-PROTEIN TARGET	EC50	=	380.0	nM	6.42	Antiprion activity against scrapie prion protein RML infected mouse Ch2 cells as...	18556207
NON-PROTEIN TARGET	EC50	=	1190.0	nM	5.92	Antiprion activity against scrapie prion protein 22L infected mouse N167 cells a...	18556207
NON-PROTEIN TARGET	EC50	=	1490.0	nM	5.83	Antiprion activity against human prion Fukuoka-1 infected mouse F3 cells assesse...	18556207
HT-22	EC50	=	5000.0	nM	5.3	Cytotoxicity against mouse HT22 cells after 24 hrs by MTT assay	24602904

PubMed	DOI	Target Context	# Activities
18556207	10.1016/j.bmc.2008.05.060	NON-PROTEIN TARGET	9
24602904	10.1016/j.bmcl.2014.02.006	HT-22	4
24602904	10.1016/j.bmcl.2014.02.006	NON-PROTEIN TARGET	2
18556207	10.1016/j.bmc.2008.05.060	ScN2a	1

Data from ChEMBL 36 via Core Engine