Compound Detail
CHEMBL5203967
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Basic Information
| ChEMBL ID | CHEMBL5203967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXAMZDAXRDSKRW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
4.93
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase theta CHEMBL6025 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase theta | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human DNA polymerase theta pol domain (1819 to 2590 residues) expr... | 36126059 |
| DNA polymerase theta | IC50 | = | 14.0 | nM | 7.85 | Inhibition of POLQ (unknown origin) | 37134182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36126059 | 10.1021/acs.jmedchem.2c00998 | DNA polymerase theta | 1 |
| 37134182 | 10.1021/acs.jmedchem.2c02101 | DNA polymerase theta | 1 |
Data from ChEMBL 36 via Core Engine