Compound Detail
CHEMBL102581
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Basic Information
| ChEMBL ID | CHEMBL102581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABOSKNBFTLZPNO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.49
ALogP
5
HBA
0
HBD
29.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.8 | 6.64 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 160.0 | nM | 6.8 | Inhibition of DNA-PK in HeLa cell nuclear extracts | 17371003 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 330.0 | nM | 6.48 | In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human car... | 12941339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17371003 | 10.1021/jm061121y | DNA-dependent protein kinase catalytic subunit | 2 |
| 12941339 | 10.1016/s0960-894x(03)00652-8 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine