Compound Detail
CHEMBL186048
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Basic Information
| ChEMBL ID | CHEMBL186048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEWYWLXLBNVBFP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
5.20
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 7.4 | 7.3967 | 40.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM | 15546735 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against DNA-dependent protein kinase receptor | 16302822 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 41.0 | nM | 7.39 | Inhibition of DNA-PK (unknown origin) | 25387153 |
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 |
| 25387153 | 10.1021/jm501026z | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine