Compound Detail
CHEMBL4459057
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Basic Information
| ChEMBL ID | CHEMBL4459057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVHNVNPBKISOIO-JOCQHMNTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.66
ALogP
7
HBA
3
HBD
105.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 8.7 | 7.75 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 1.995 | nM | 8.7 | Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using... | 31851518 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 158.49 | nM | 6.8 | Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-in... | 31851518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31851518 | 10.1021/acs.jmedchem.9b01684 | DNA-dependent protein kinase catalytic subunit | 2 |
| 31851518 | 10.1021/acs.jmedchem.9b01684 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine