Compound Detail
CHEMBL3143226
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Basic Information
| ChEMBL ID | CHEMBL3143226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTPCEGWZXOSLSS-IVZWLZJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.2
MW (Da)
0.67
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1820 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 61000.0 | nM | 4.21 | Binding affinity towards HSV-1 thymidine kinase | 8941385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941385 | 10.1021/jm960278v | Thymidine kinase | 1 |
Data from ChEMBL 36 via Core Engine