Compound Detail
CHEMBL5413243
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Basic Information
| ChEMBL ID | CHEMBL5413243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APILEVRYZFIOHV-MDZDMXLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.54
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 5.48 | 5.48 | 3288.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 3288.0 | nM | 5.48 | Antiproliferative activity against human MGC-803 cells assessed as inhibition of... | 36162214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36162214 | 10.1016/j.ejmech.2022.114738 | A549 | 1 |
| 36162214 | 10.1016/j.ejmech.2022.114738 | HepG2 | 1 |
| 36162214 | 10.1016/j.ejmech.2022.114738 | HeLa | 1 |
| 36162214 | 10.1016/j.ejmech.2022.114738 | MCF7 | 1 |
| 36162214 | 10.1016/j.ejmech.2022.114738 | MGC-803 | 1 |
| 36162214 | 10.1016/j.ejmech.2022.114738 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine