Compound Detail
CHEMBL4075289
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Basic Information
| ChEMBL ID | CHEMBL4075289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSZMHSIBGMOVHF-JXMROGBWSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.02
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.89
IC50 1 meas. best 5.09
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WI-38 | EC50 | = | 1300.0 | nM | 5.89 | Senolytic activity against ionizing radiation induced human WI38 senescent cells... | 29925484 |
| WI-38 | EC50 | = | 1300.0 | nM | 5.89 | Senolytic activity in ionizing radiation induced human WI-38 senescent cells by ... | 38104906 |
| WI-38 | EC50 | = | 4800.0 | nM | 5.32 | Senolytic activity against non-senescent human WI38 cells assessed as reduction ... | 29925484 |
| WI-38 | EC50 | = | 4800.0 | nM | 5.32 | Senolytic activity in non-senescent human WI-38 cells by PI staining based flow ... | 38104906 |
| MCF7 | IC50 | = | 8200.0 | nM | 5.09 | Antiproliferative activity in human MCF7 cells assessed as cell viability after ... | 27689728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF-10A | 3 |
| 29925484 | 10.1016/j.bmc.2018.06.013 | WI-38 | 2 |
| 38104906 | 10.1016/j.bmcl.2023.129593 | WI-38 | 2 |
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF7 | 1 |
| 29925484 | 10.1016/j.bmc.2018.06.013 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine