Compound Detail
CHEMBL512322
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Basic Information
| ChEMBL ID | CHEMBL512322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFFNYOMXUPGOIF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
4.96
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.75 | 6.75 | 180.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 180.0 | nM | 6.75 | Inhibition of DNA-dependent protein kinase | 18678488 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 180.0 | nM | 6.75 | Inhibition of DNA-dependent protein kinase | 20472428 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 180.0 | nM | 6.75 | Inhibition of DNA-PK | 22835870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678488 | 10.1016/j.bmcl.2008.07.066 | DNA-dependent protein kinase catalytic subunit | 1 |
| 20472428 | 10.1016/j.bmcl.2010.04.102 | DNA-dependent protein kinase catalytic subunit | 1 |
| 22835870 | 10.1016/j.bmcl.2012.06.053 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine