Compound Detail
CHEMBL5575434
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Basic Information
| ChEMBL ID | CHEMBL5575434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAVIHLLQYMDZMO-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
2.85
ALogP
9
HBA
1
HBD
93.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 7.2 | 7.2 | 62.8 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.68 | 6.39 | 210.0 | 2 |
| CT26 CHEMBL613866 | IC50 | 4.83 | 4.695 | 14900.0 | 2 |
| B16-F10 CHEMBL612656 | IC50 | 4.68 | 4.59 | 20900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 62.8 | nM | 7.2 | Inhibition of human full-length DNA-PK using EPPLSQEAFADLWKK as substrate incuba... | 38587857 |
| Jurkat | IC50 | = | 210.0 | nM | 6.68 | Synergistic antiproliferative activity against human Jurkat cells assessed as re... | 38587857 |
| Jurkat | IC50 | = | 800.0 | nM | 6.1 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38587857 |
| CT26 | IC50 | = | 14900.0 | nM | 4.83 | Synergistic antiproliferative activity against mouse CT26 cells assessed as redu... | 38587857 |
| B16-F10 | IC50 | = | 20900.0 | nM | 4.68 | Synergistic antiproliferative activity against mouse B16-F10 cells assessed as r... | 38587857 |
| CT26 | IC50 | = | 27600.0 | nM | 4.56 | Antiproliferative activity against mouse CT26 cells assessed as reduction in cel... | 38587857 |
| B16-F10 | IC50 | = | 31900.0 | nM | 4.5 | Antiproliferative activity against mouse B16-F10 cells assessed as reduction in ... | 38587857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38587857 | 10.1021/acs.jmedchem.3c02231 | CT26 | 2 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | B16-F10 | 2 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | Jurkat | 2 |
| 38587857 | 10.1021/acs.jmedchem.3c02231 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine