Compound Detail
CHEMBL261325
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 | CHEMBL261325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XACKNLSZYYIACO-YIZRAAEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
-1.26
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1075062 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosp... | 17438061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17438061 | 10.1128/aac.01284-06 | Thymidine kinase | 1 |
Data from ChEMBL 36 via Core Engine