Compound Detail
CHEMBL221403
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Basic Information
| ChEMBL ID | CHEMBL221403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBJPENNTKVCZIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
5.23
ALogP
6
HBA
0
HBD
29.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of DNA-PK in HeLa cell nuclear extracts | 17371003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17371003 | 10.1021/jm061121y | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine