Compound Detail
CHEMBL5200109
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Basic Information
| ChEMBL ID | CHEMBL5200109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYAFJLRLMLTUOD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.71
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 7.47 | 6.0233 | 34.0 | 3 |
| Murine hepatitis virus CHEMBL613733 | IC50 | 5.27 | 5.27 | 5350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 4970.0 | nM | 5.3 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| Murine hepatitis virus | IC50 | = | 5350.0 | nM | 5.27 | Antiviral activity against MHV-nLuc infected in DBT cells assessed as effect on ... | 36111834 |
| Murine hepatitis virus | IC50 | = | 5370.32 | nM | 5.27 | 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 |
Data from ChEMBL 36 via Core Engine