Compound Detail
CHEMBL5557939
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O=C(N[C@@H]1C[C@H](n2cc(CNC(=O)c3cc4cc(Br)ccc4c(Br)c3O)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)OC[C@@H]1C[C@H](O)O[C@@H]1O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5557939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYFDMTGSFVHZOM-CHXPJMCCSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1052.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.69
Ki 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL2392 | IC50 | 6.69 | 6.69 | 204.0 | 1 |
| DNA polymerase beta CHEMBL2392 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | IC50 | = | 204.0 | nM | 6.69 | Inhibition of DNA polymerase beta (unknown origin) measured after 30 mins | 38711345 |
| DNA polymerase beta | Ki | = | 1800.0 | nM | 5.75 | Irreversible inhibition of DNA polymerase beta (unknown origin) assessed as inhi... | 38711345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38711345 | 10.1021/acs.jmedchem.3c01825 | DNA polymerase beta | 3 |
Data from ChEMBL 36 via Core Engine