Compound Detail
CHEMBL5574170
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Basic Information
| ChEMBL ID | CHEMBL5574170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNUCVDMLZHBTQG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.01
ALogP
10
HBA
1
HBD
98.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 7.53 | 7.53 | 29.4 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 29.4 | nM | 7.53 | Inhibition of human full-length DNA-PK using EPPLSQEAFADLWKK as substrate incuba... | 38587857 |
| Jurkat | IC50 | = | 15000.0 | nM | 4.82 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38587857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38587857 | 10.1021/acs.jmedchem.3c02231 | DNA-dependent protein kinase catalytic subunit | 1 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | CT26 | 1 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | B16-F10 | 1 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine