Compound Detail
CHEMBL132598
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Basic Information
| ChEMBL ID | CHEMBL132598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWBNZLRIOLFURT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
5.40
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL2883 | IC50 | 8.7 | 8.4 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell lin... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell lin... | 12213066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213066 | 10.1021/jm011128+ | Thymidine kinase, cytosolic | 4 |
Data from ChEMBL 36 via Core Engine