Compound Detail
CHEMBL1791157
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 | CHEMBL1791157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUZHIJNFHYHTSN-HBNTYKKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
-0.09
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase CHEMBL1820 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase | IC50 | = | 4000.0 | nM | 5.4 | Binding affinity towards HSV-1 thymidine kinase | 8941385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8388474 | 10.1021/jm00057a003 | Human alphaherpesvirus 1 | 5 |
| 8388474 | 10.1021/jm00057a003 | Human alphaherpesvirus 2 | 3 |
| 8388474 | 10.1021/jm00057a003 | Human alphaherpesvirus 3 | 3 |
| 8388474 | 10.1021/jm00057a003 | Cytomegalovirus | 2 |
| 8388474 | 10.1021/jm00057a003 | Vesicular stomatitis virus | 2 |
| 8941385 | 10.1021/jm960278v | Thymidine kinase | 1 |
| 8388474 | 10.1021/jm00057a003 | Vaccinia virus | 1 |
| 8388474 | 10.1021/jm00057a003 | Cell line | 1 |
| 8388474 | 10.1021/jm00057a003 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine