Compound Detail
CHEMBL189552
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Basic Information
| ChEMBL ID | CHEMBL189552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQVASXBFAOLNLS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM | 15546735 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against DNA-dependent protein kinase receptor | 16302822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546735 | 10.1016/j.bmcl.2004.09.060 | DNA-dependent protein kinase catalytic subunit | 1 |
| 16302822 | 10.1021/jm050444b | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine