Compound Detail
CHEMBL5281192
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Basic Information
| ChEMBL ID | CHEMBL5281192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLOKALDRSGLAIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.7
MW (Da)
3.26
ALogP
6
HBA
2
HBD
99.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.05 | 6.97 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of VPS34 (unknown origin) | 36283182 |
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of rapamycin induced autophagy in human MCF7 cells expressing eGFP-LC... | 36283182 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of starvation induced autophagy in human MCF7 cells expressing eGFP-L... | 36283182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36283182 | 10.1016/j.ejmech.2022.114846 | Unchecked | 2 |
| 36283182 | 10.1016/j.ejmech.2022.114846 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
Data from ChEMBL 36 via Core Engine