Compound Detail
CHEMBL594273
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Basic Information
| ChEMBL ID | CHEMBL594273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXHIINRNTKTBDX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
1.73
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| DNA polymerase beta CHEMBL4343 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of calf thymus DNA polymerase alpha by [3H]dTTP incorporation assay | 19767211 |
| DNA polymerase beta | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of rat DNA polymerase beta by [3H]dTTP incorporation assay | 19767211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19767211 | 10.1016/j.bmc.2009.08.051 | Unchecked | 3 |
| 19767211 | 10.1016/j.bmc.2009.08.051 | DNA polymerase beta | 1 |
Data from ChEMBL 36 via Core Engine