Compound Detail
CHEMBL5559203
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Basic Information
| ChEMBL ID | CHEMBL5559203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKLYUWSWDIVMSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.42
ALogP
6
HBA
1
HBD
61.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 108.0 | nM | 6.97 | Inhibition of human DNA-PK using EPPLSQEAFADLWK as substrate in presence of ATP ... | 39007759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39007759 | 10.1021/acs.jmedchem.4c01120 | DNA-dependent protein kinase catalytic subunit | 1 |
| 39007759 | 10.1021/acs.jmedchem.4c01120 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 39007759 | 10.1021/acs.jmedchem.4c01120 | Serine/threonine-protein kinase mTOR | 1 |
| 39007759 | 10.1021/acs.jmedchem.4c01120 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine