Compound Detail
CHEMBL152338
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL152338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNNTZLFLHGTMNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.46
ALogP
6
HBA
2
HBD
75.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL3415 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Thymidine kinase CHEMBL1795127 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of HSV-2 thymidine kinase, 2 uM [3H]thymidine and ATP as phosphate do... | 7837239 |
| Thymidine kinase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of HSV-1 thymidine kinase, 1 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