Compound Detail

CHEMBL605008

Enter ChEMBL ID:

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

CC(Cc1ccccc1)Nc1cc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL605008
Phase	Preclinical
Structure Type	MOL
InChI Key	RCLBIIKVOWLZIW-UPHLJAQNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.9

MW (Da)

1.74

ALogP

HBA

HBD

112.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 7.75

EC50 1 meas. best 5.46

IC50 1 meas. best 6.02

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Adenosine receptor A1 CHEMBL318	Ki	7.75	7.75	18.0	1
Adenosine receptor A1 CHEMBL318	IC50	6.02	6.02	960.0	1
Adenosine A2 receptor CHEMBL2094257	EC50	5.46	5.46	3500.0	1
Adenosine A2 receptor CHEMBL2094117	Ki	5.43	5.43	3700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Adenosine receptor A1	Ki	=	18.0	nM	7.75	Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes	3373486
Adenosine receptor A1	IC50	=	960.0	nM	6.02	Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A...	3373486
Adenosine A2 receptor	EC50	=	3500.0	nM	5.46	Stimulation of adenylate cyclase activity in human platelet membrane at A2 recep...	3373486
Adenosine A2 receptor	Ki	=	3700.0	nM	5.43	Displacement of [3H]NECA from A2-receptor of rat striatal membranes	3373486

PubMed	DOI	Target Context	# Activities
3373486	10.1021/jm00401a018	Adenosine receptor A1	3
3373486	10.1021/jm00401a018	Adenosine A2 receptor	3
3373486	10.1021/jm00401a018	Unchecked	1
3373486	10.1021/jm00401a018	Adenosine receptors; A1 & A2	1

Data from ChEMBL 36 via Core Engine