Compound Detail
CHEMBL152257
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Basic Information
| ChEMBL ID | CHEMBL152257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRLITVMWEMTPRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
2.69
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1795127 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Thymidine kinase CHEMBL3415 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of HSV-1 thymidine kinase, 1 uM [3H]thymidine and ATP as phosphate do... | 7837239 |
| Thymidine kinase | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of HSV-2 thymidine kinase, 2 uM [3H]thymidine and ATP as phosphate do... | 7837239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837239 | 10.1021/jm00001a010 | Thymidine kinase | 2 |
Data from ChEMBL 36 via Core Engine