Compound Detail
CHEMBL356952
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
Basic Information
| ChEMBL ID | CHEMBL356952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSIXKUPQCKWBY-TXRROPDSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.1
MW (Da)
-0.77
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 7.17 | 7.17 | 68.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 68.0 | nM | 7.17 | Inhibitory activity against human recombinant adenosine kinase | 14561094 |
| Adenosine kinase | IC50 | = | 68.0 | nM | 7.17 | Inhibitory concentration against human recombinant adenosine kinase using [14C]A... | 16190769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561094 | 10.1021/jm030230z | Adenosine kinase | 1 |
| 14561094 | 10.1021/jm030230z | Rattus norvegicus | 1 |
| 16190769 | 10.1021/jm0503650 | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine