Compound Detail
CHEMBL5542181
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Basic Information
| ChEMBL ID | CHEMBL5542181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABSHJLDAUIAXFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.59
ALogP
7
HBA
1
HBD
70.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 147.0 | nM | 6.83 | 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