Compound Detail
CHEMBL5614105
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Basic Information
| ChEMBL ID | CHEMBL5614105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTSSNPBVCBNOJQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
4.44
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.65
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCC827 | IC50 | = | 2.25 | nM | 8.65 | Antiproliferative activity against human HCC827 cells incubated for 48 hrs by CC... | 38972078 |
| SK-OV-3 | IC50 | = | 2.72 | nM | 8.56 | Antiproliferative activity against human SK-OV-3 cells incubated for 48 hrs by C... | 38972078 |
| A2780 | IC50 | = | 4.68 | nM | 8.33 | Antiproliferative activity against human A2780 cells incubated for 48 hrs by CCK... | 38972078 |
| A549 | IC50 | = | 5.13 | nM | 8.29 | Antiproliferative activity against human A549 cells incubated for 48 hrs by CCK8... | 38972078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38972078 | 10.1016/j.ejmech.2024.116649 | A549 | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | A2780 | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | SK-OV-3 | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | HCC827 | 1 |
Data from ChEMBL 36 via Core Engine