Compound Detail
CHEMBL101730
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Basic Information
| ChEMBL ID | CHEMBL101730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRHVTNIXPRLEBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
1.26
ALogP
6
HBA
4
HBD
112.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL3415 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
| Thymidine kinase CHEMBL1820 | IC50 | 4.52 | 4.52 | 30199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 19952.62 | nM | 4.7 | Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells | 1323680 |
| Thymidine kinase | IC50 | = | 30199.52 | nM | 4.52 | Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells | 1323680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1323680 | 10.1021/jm00094a007 | Thymidine kinase | 2 |
Data from ChEMBL 36 via Core Engine