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

CHEMBL311217

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
COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311217
Phase Preclinical
Structure Type MOL
InChI Key USSSLMVUWXJIPO-KQYNXXCUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
-1.28
ALogP
9
HBA
4
HBD
139.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N4O5
MW 284.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.59

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine kinase
CHEMBL2384
 IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine kinase IC50 = 6100.0 nM 5.21 In vitro inhibition of Adenosine kinase of rat brain cytosol. 11549437

Literature References

PubMed DOI Target Context # Activities
11549437 10.1016/s0960-894x(01)00454-1 Adenosine kinase 1

Data from ChEMBL 36 via Core Engine