Compound Detail

CHEMBL7327

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Oc1ccc(-c2nnc3nc4ccccc4n3c2O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL7327
Phase	Preclinical
Structure Type	MOL
InChI Key	CIQGQJWQZMKOMM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.3

MW (Da)

2.36

ALogP

HBA

HBD

83.5

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.13

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
GABA-A receptor; anion channel CHEMBL2094107	Ki	7.13	7.13	74.0	1
Adenosine receptor A1 CHEMBL226	Ki	6.6	6.6	251.2	1
Adenosine receptor A1 CHEMBL4975	Ki	6.6	6.6	249.0	1
Adenosine receptor A2a CHEMBL251	Ki	5.89	5.89	1300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
GABA-A receptor; anion channel	Ki	=	74.0	nM	7.13	Displacement of [3H]- Ro.15-1788 from GABA-A central Benzodiazepine receptor (Bz...	10633040
Adenosine receptor A1	Ki	=	249.0	nM	6.6	Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cor...	11462973
Adenosine receptor A1	Ki	=	251.19	nM	6.6	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell...	16279775
Adenosine receptor A2a	Ki	=	1300.0	nM	5.89	Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal m...	11462973

PubMed	DOI	Target Context	# Activities
10633040	10.1021/jm991131h	GABA-A receptor; anion channel	4
11462973	10.1021/jm001054m	Adenosine receptor A1	1
11462973	10.1021/jm001054m	Adenosine receptor A2a	1
16279775	10.1021/jm050407k	Adenosine receptor A1	1

Data from ChEMBL 36 via Core Engine