Compound Detail
CHEMBL5282812
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Basic Information
| ChEMBL ID | CHEMBL5282812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZCHZQWSRFWSCU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
2.04
ALogP
7
HBA
3
HBD
135.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.38 | 6.365 | 420.0 | 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 | = | 61.0 | nM | 7.21 | Inhibition of VPS34 (unknown origin) | 36283182 |
| Unchecked | IC50 | = | 420.0 | nM | 6.38 | Inhibition of rapamycin induced autophagy in human MCF7 cells expressing eGFP-LC... | 36283182 |
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | 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