Compound Detail
CHEMBL225838
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Basic Information
| ChEMBL ID | CHEMBL225838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZNPQLJNXKVMMY-SCFUHWHPSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
0.06
ALogP
10
HBA
4
HBD
134.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2982 | IC50 | 5.14 | 5.13 | 7194.5 | 2 |
| B16 CHEMBL381 | IC50 | 4.71 | 4.71 | 19500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 7194.49 | nM | 5.14 | Inhibition of Toxoplasma gondii adenosine kinase | - |
| Adenosine kinase | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of Toxoplasma gondii adenosine kinase | - |
| B16 | IC50 | = | 19500.0 | nM | 4.71 | Antitumor activity against mouse B16 cells after 72 hrs by Calcein AM assay | 17418578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3012086 | 10.1021/jm00156a016 | Adenosine A2 receptor | 2 |
| - | 10.1007/s00044-011-9554-z | Adenosine kinase | 2 |
| 3012086 | 10.1021/jm00156a016 | ADMET | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | Amaranthus | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | Triticum aestivum | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | Nicotiana tabacum | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | Histidine kinase 3 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | Histidine kinase 4 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | HOS | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | K562 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | NON-PROTEIN TARGET | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | CCRF-CEM | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | HL-60 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | G-361 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | B16 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | ADMET | 1 |
| 11063610 | 10.1021/jm000287a | Phosphoglycerate kinase | 1 |
Data from ChEMBL 36 via Core Engine