Compound Detail
CHEMBL61524
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Basic Information
| ChEMBL ID | CHEMBL61524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVXWVHHHBJNBQU-SCFUHWHPSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
0.74
ALogP
10
HBA
3
HBD
122.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | Ki | 7.46 | 7.46 | 34.7 | 1 |
| Adenosine kinase CHEMBL2982 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Adenosine kinase CHEMBL2982 | IC50 | 5.46 | 5.46 | 3499.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | Ki | = | 34.67 | nM | 7.46 | Inhibition of human ENT1 | 19091561 |
| Adenosine kinase | Ki | = | 2600.0 | nM | 5.58 | Inhibition of Toxoplasma gondii adenosine kinase | - |
| Adenosine kinase | IC50 | = | 3499.45 | nM | 5.46 | Inhibition of Toxoplasma gondii adenosine kinase | - |
| Adenosine kinase | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of Toxoplasma gondii adenosine kinase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9554-z | Adenosine kinase | 3 |
| 15055998 | 10.1021/jm030537y | Adenosine kinase | 1 |
| 19091561 | 10.1016/j.bmcl.2008.11.092 | Equilibrative nucleoside transporter 1 | 1 |
| 38739840 | 10.1021/acs.jmedchem.3c01267 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 1 |
Data from ChEMBL 36 via Core Engine