Compound Detail
CHEMBL223980
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Basic Information
| ChEMBL ID | CHEMBL223980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQVXBNYJXVKZBA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.72
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of DNA-PK in HeLa cell nuclear extracts | 17371003 |
| Serine-protein kinase ATM | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of ATM kinase | 17371003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17371003 | 10.1021/jm061121y | DNA-dependent protein kinase catalytic subunit | 1 |
| 17371003 | 10.1021/jm061121y | Serine-protein kinase ATM | 1 |
Data from ChEMBL 36 via Core Engine