Compound Detail
CHEMBL68748
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Basic Information
| ChEMBL ID | CHEMBL68748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKMZZIXDNQFKGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.3
MW (Da)
4.16
ALogP
6
HBA
1
HBD
80.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Adenosine kinase CHEMBL3589 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 1.8 | nM | 8.74 | In vitro inhibition of Adenosine kinase (AK) | 11405650 |
| Adenosine kinase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma... | 11405650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405650 | 10.1021/jm000314x | Adenosine kinase | 2 |
Data from ChEMBL 36 via Core Engine