Compound Detail
CHEMBL5565907
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O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5565907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLRJTQIYPHPTPE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
504.4
MW (Da)
5.57
ALogP
6
HBA
2
HBD
108.7
PSA (Ų)
0.48
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glioblastoma cell line CHEMBL614503 | IC50 | 4.76 | 4.76 | 17180.0 | 1 |
| A498 CHEMBL614516 | IC50 | 4.56 | 4.56 | 27470.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.53 | 4.53 | 29570.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.52 | 30310.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.46 | 4.46 | 34320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glioblastoma cell line | IC50 | = | 17180.0 | nM | 4.76 | Antiproliferative activity against human Glioblastoma cell line assessed as redu... | 38458106 |
| A498 | IC50 | = | 27470.0 | nM | 4.56 | Antiproliferative activity against human A498 cells assessed as reduction in cel... | 38458106 |
| A549 | IC50 | = | 29570.0 | nM | 4.53 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 38458106 |
| Unchecked | IC50 | = | 30310.0 | nM | 4.52 | Antiproliferative activity against human SK-RC-45 cells assessed as reduction in... | 38458106 |
| HeLa | IC50 | = | 34320.0 | nM | 4.46 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 38458106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38458106 | 10.1016/j.ejmech.2024.116249 | Glioblastoma cell line | 1 |
| 38458106 | 10.1016/j.ejmech.2024.116249 | A549 | 1 |
| 38458106 | 10.1016/j.ejmech.2024.116249 | HeLa | 1 |
| 38458106 | 10.1016/j.ejmech.2024.116249 | Unchecked | 1 |
| 38458106 | 10.1016/j.ejmech.2024.116249 | A498 | 1 |
Data from ChEMBL 36 via Core Engine