Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL605679

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCC(C)Oc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605679
Phase Preclinical
Structure Type MOL
InChI Key INXBQWZVAUQQQE-YLQWAYKMSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
-0.80
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N5O5
MW 339.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.79

Activity Summary

EC50 2 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine A2 receptor
CHEMBL2094257
 EC50 5.45 5.45 3548.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine A2 receptor EC50 = 3548.13 nM 5.45 Coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guine... 2016707

Literature References

PubMed DOI Target Context # Activities
2016707 10.1021/jm00108a014 Adenosine receptor A1 1
2016707 10.1021/jm00108a014 Adenosine A2 receptor 1
2016707 10.1021/jm00108a014 Adenosine receptors; A1 & A2 1

Data from ChEMBL 36 via Core Engine