Compound Detail
CHEMBL455349
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Basic Information
| ChEMBL ID | CHEMBL455349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVPVGQFYXVXBRQ-UPHRSURJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
6.75
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL4343 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of rat DNA polymerase beta assessed as [3H]TTP incorporation after 60... | 10096862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10096862 | 10.1021/np980522g | DNA polymerase beta | 3 |
Data from ChEMBL 36 via Core Engine