Compound Detail

CHEMBL142410

Enter ChEMBL ID:

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

CCCn1c(=O)c2nc(C(C)C)[nH]c2n(CCC)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL142410
Phase	Preclinical
Structure Type	MOL
InChI Key	QZADLMGDGWDQNX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.4

MW (Da)

1.83

ALogP

HBA

HBD

72.7

PSA (Å²)

0.91

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Adenosine receptor A1 CHEMBL2304404	Ki	7.31	7.31	49.0	2
Adenosine A2 receptor CHEMBL2094117	Ki	5.82	5.82	1500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Adenosine receptor A1	Ki	=	49.0	nM	7.31	Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrai...	1992150
Adenosine receptor A1	Ki	=	49.0	nM	7.31	Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine ...	1548682
Adenosine A2 receptor	Ki	=	1500.0	nM	5.82	Binding affinity carried out with [3H]5'-(N-ethylcarbamoyl)-adenosine in the pre...	1992150
Adenosine A2 receptor	Ki	=	1500.0	nM	5.82	Binding affinity against adenosine A2 receptor using N-[3H]-ethyladenosin-5''-ur...	1548682

PubMed	DOI	Target Context	# Activities
1992150	10.1021/jm00105a072	Adenosine receptor A1	1
1992150	10.1021/jm00105a072	Adenosine A2 receptor	1
1992150	10.1021/jm00105a072	Unchecked	1
1548682	10.1021/jm00083a018	Adenosine receptor A1	1
1548682	10.1021/jm00083a018	Adenosine A2 receptor	1
1548682	10.1021/jm00083a018	Adenosine receptors; A1 & A2	1

Data from ChEMBL 36 via Core Engine