Compound Detail
CHEMBL2311131
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Basic Information
| ChEMBL ID | CHEMBL2311131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEWOWXPKUVLDTM-JKMUOGBPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
352.1
MW (Da)
-0.55
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL2883 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 210.0 | nM | 6.68 | Inhibition constant against HSV-1 TK | 14584954 |
| Thymidine kinase, cytosolic | Ki | = | 210.0 | nM | 6.68 | Binding affinity constant against HSV-1 thymidine kinase | 14584954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2547072 | 10.1021/jm00128a029 | Oryctolagus cuniculus | 33 |
| 6298423 | 10.1021/jm00356a008 | Human alphaherpesvirus 1 | 8 |
| 6298423 | 10.1021/jm00356a008 | Human alphaherpesvirus 2 | 4 |
| 2985782 | 10.1021/jm50001a003 | Human alphaherpesvirus 1 | 4 |
| 2153201 | 10.1021/jm00163a030 | Vero | 3 |
| 2985782 | 10.1021/jm50001a003 | Human alphaherpesvirus 2 | 2 |
| 2985782 | 10.1021/jm50001a003 | L1210 | 2 |
| 14584954 | 10.1021/jm030241s | Thymidine kinase, cytosolic | 2 |
| 14584954 | 10.1021/jm030241s | Unchecked | 1 |
| 14584954 | 10.1021/jm030241s | ADMET | 1 |
| 2985782 | 10.1021/jm50001a003 | Vaccinia virus | 1 |
| 2985782 | 10.1021/jm50001a003 | Vesicular stomatitis virus | 1 |
| 2985782 | 10.1021/jm50001a003 | Homo sapiens | 1 |
| 2985782 | 10.1021/jm50001a003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine