Compound Detail
CHEMBL3763722
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Basic Information
| ChEMBL ID | CHEMBL3763722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFCPIPPRQIESHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.9
MW (Da)
5.71
ALogP
6
HBA
0
HBD
55.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.25 | 6.25 | 564.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 564.0 | nM | 6.25 | Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay | 26854431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine