Compound Detail
CHEMBL5202422
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Basic Information
| ChEMBL ID | CHEMBL5202422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLMUWPSPDSKZJC-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.21
ALogP
4
HBA
3
HBD
87.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 7.21 | 6.41 | 61.0 | 4 |
| Murine hepatitis virus CHEMBL613733 | IC50 | 5.07 | 5.07 | 8470.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 61.0 | nM | 7.21 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 61.0 | nM | 7.21 | Inhibition of PIKfyve (unknown origin) | 37981443 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 2450.0 | nM | 5.61 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 2454.71 | nM | 5.61 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| Murine hepatitis virus | IC50 | = | 8470.0 | nM | 5.07 | Antiviral activity against MHV-nLuc infected in DBT cells assessed as effect on ... | 36111834 |
| Murine hepatitis virus | IC50 | = | 8511.38 | nM | 5.07 | Antiviral activity against MHV-nLuc infected in DBT cells assessed as effect on ... | 36111834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36111834 | 10.1021/acs.jmedchem.2c00697 | 1-phosphatidylinositol 3-phosphate 5-kinase | 4 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | Murine hepatitis virus | 2 |
| 37981443 | 10.1016/j.ejmech.2023.115923 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
Data from ChEMBL 36 via Core Engine