Compound Detail
CHEMBL120650
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 | CHEMBL120650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZRMFKDJIYBSCW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.3
MW (Da)
3.04
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Adenosine kinase CHEMBL3589 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| IMR-32 CHEMBL614585 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 22.0 | nM | 7.66 | Evaluated in vitro for inhibitory activity against Adenosine kinase (AK) | 12166937 |
| Adenosine kinase | IC50 | = | 22.0 | nM | 7.66 | In vitro inhibitory concentration against Adenosine kinase in cycstolic assay | 15261263 |
| IMR-32 | IC50 | = | 1000.0 | nM | 6.0 | Evaluated in vitro for the inhibition of Adenosine (ADO) phosphorylation in inta... | 12166937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166937 | 10.1021/jm020049a | Adenosine kinase | 1 |
| 12166937 | 10.1021/jm020049a | IMR-32 | 1 |
| 15261263 | 10.1016/j.bmcl.2004.06.029 | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine