Compound Detail
CHEMBL442562
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Basic Information
| ChEMBL ID | CHEMBL442562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMSUPFMVSWEJQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
3.09
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase catalytic subunit CHEMBL4009 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase catalytic subunit | IC50 | = | 10600.0 | nM | 4.97 | Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase | 10999475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine