Compound Detail
CHEMBL3187610
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Basic Information
| ChEMBL ID | CHEMBL3187610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCYQRKMNQAQDKX-MDZDMXLPSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
2.01
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.57
IC50 1 meas. best 5.46
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WI-38 | EC50 | = | 2700.0 | nM | 5.57 | Senolytic activity against ionizing radiation induced human WI38 senescent cells... | 29925484 |
| MCF7 | IC50 | = | 3500.0 | nM | 5.46 | Antiproliferative activity in human MCF7 cells assessed as cell viability after ... | 27689728 |
| WI-38 | EC50 | = | 10200.0 | nM | 4.99 | Senolytic activity against non-senescent human WI38 cells assessed as reduction ... | 29925484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF7 | 3 |
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF-10A | 3 |
| 27914365 | 10.1016/j.ejmech.2016.11.034 | Unchecked | 2 |
| 29925484 | 10.1016/j.bmc.2018.06.013 | WI-38 | 2 |
| 27914365 | 10.1016/j.ejmech.2016.11.034 | No relevant target | 1 |
| 29925484 | 10.1016/j.bmc.2018.06.013 | ADMET | 1 |
| 33148493 | 10.1016/j.ejmech.2020.112965 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine