Compound Detail
CHEMBL3144572
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Basic Information
| ChEMBL ID | CHEMBL3144572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFBOVHMAJFGZJE-VCKSIFHUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
-0.37
ALogP
8
HBA
3
HBD
119.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1820 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Thymidine kinase CHEMBL1795127 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | Ki | = | 2000.0 | nM | 5.7 | Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes s... | 2153203 |
| Thymidine kinase | Ki | = | 2600.0 | nM | 5.58 | Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes s... | 2153203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153203 | 10.1021/jm00163a033 | Thymidine kinase | 2 |
Data from ChEMBL 36 via Core Engine