Compound Detail
CHEMBL441732
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Basic Information
| ChEMBL ID | CHEMBL441732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTDSDCIJZUTHGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.62
ALogP
7
HBA
2
HBD
79.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1075062 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 1200.0 | nM | 5.92 | 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