Compound Detail
CHEMBL5398631
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Basic Information
| ChEMBL ID | CHEMBL5398631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMYAIEURMBAURT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
2.28
ALogP
6
HBA
4
HBD
128.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase eta CHEMBL5542 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase eta | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of C-terminal 6xHis-tagged human DNA polymerase eta (1 to 511 residue... | 36621139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36621139 | 10.1016/j.ejmech.2022.115044 | DNA polymerase eta | 1 |
Data from ChEMBL 36 via Core Engine