Compound Detail

CHEMBL25096

Enter ChEMBL ID:

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

CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL25096
Phase	Preclinical
Structure Type	MOL
InChI Key	GJZLMIMXCYMPSI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

236.3

MW (Da)

0.09

ALogP

HBA

HBD

61.8

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.26

Ki 2 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Adenosine receptor A2a CHEMBL2605	Ki	5.16	5.16	7000.0	1
Adenosine receptor A1 CHEMBL318	Ki	4.72	4.72	19000.0	1
Unchecked CHEMBL612545	IC50	4.26	4.225	55000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Adenosine receptor A2a	Ki	=	7000.0	nM	5.16	Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation...	3806581
Adenosine receptor A1	Ki	=	19000.0	nM	4.72	Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 recep...	3806581
Unchecked	IC50	=	55000.0	nM	4.26	Inhibition of phosphodiesterase (peak-1) isolated from pig coronary artery asses...	177782
Unchecked	IC50	=	65000.0	nM	4.19	Inhibition of phosphodiesterase (peak-1) isolated from pig coronary artery asses...	177782

PubMed	DOI	Target Context	# Activities
177782	10.1021/jm00226a010	Unchecked	3
3806581	10.1021/jm00157a035	Adenosine receptor A1	1
3806581	10.1021/jm00157a035	Adenosine receptor A2a	1
3806581	10.1021/jm00157a035	Unchecked	1

Data from ChEMBL 36 via Core Engine