Compound Detail

CHEMBL6862

Enter ChEMBL ID:

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

CCCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6862
Phase	Preclinical
Structure Type	MOL
InChI Key	QTSYRLXDMNGLSF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.8

MW (Da)

2.68

ALogP

HBA

HBD

64.4

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 6 meas. best 7.61

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
GABA-A receptor; anion channel CHEMBL1907607	Ki	7.61	7.545	24.8	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
GABA-A receptor; anion channel	Ki	=	24.8	nM	7.61	Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric acid A recep...	7752192
GABA-A receptor; anion channel	Ki	=	24.8	nM	7.61	Binding affinity for Diazepam-Sensitive fraction of GABA-A benzodiazepine recept...	8386769
GABA-A receptor; anion channel	Ki	=	24.8	nM	7.61	Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) ...	8390574
GABA-A receptor; anion channel	Ki	=	33.3	nM	7.48	Binding affinity against Diazepam insensitive (DI) Gamma-aminobutyric acid A rec...	7752192
GABA-A receptor; anion channel	Ki	=	33.3	nM	7.48	Binding affinity for Diazepam-Insensitive fraction of GABA-A benzodiazepine rece...	8386769
GABA-A receptor; anion channel	Ki	=	33.3	nM	7.48	Binding affinity for Diazepam insensitive (DI) isoform of the benzodiazepine (Bz...	8390574

PubMed	DOI	Target Context	# Activities
8386769	10.1021/jm00060a007	GABA-A receptor; anion channel	4
8390574	10.1021/jm00065a004	GABA-A receptor; anion channel	3
7752192	10.1021/jm00010a013	GABA-A receptor; anion channel	2

Data from ChEMBL 36 via Core Engine