Compound Detail
CHEMBL294810
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Basic Information
| ChEMBL ID | CHEMBL294810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAOIEYLBLQZUQM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
0.63
ALogP
6
HBA
4
HBD
107.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1820 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Thymidine kinase CHEMBL1795127 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simple... | 2153203 |
| Thymidine kinase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simple... | 2153203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153203 | 10.1021/jm00163a033 | Thymidine kinase | 2 |
Data from ChEMBL 36 via Core Engine