Compound Detail
CHEMBL4303292
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Basic Information
| ChEMBL ID | CHEMBL4303292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFZQYGBLRIKROZ-PCLIKHOPSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.38
ALogP
8
HBA
1
HBD
79.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 8.92 | 8.6375 | 1.2 | 4 |
| Murine hepatitis virus CHEMBL613733 | IC50 | 7.39 | 7.39 | 40.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 1.19 | nM | 8.92 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 1.202 | nM | 8.92 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 3.7 | nM | 8.43 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 5.2 | nM | 8.28 | Inhibition of N-terminal His-tagged human PIKfyve expressed in Sf9 insect cells ... | 37981443 |
| Murine hepatitis virus | IC50 | = | 40.4 | nM | 7.39 | Antiviral activity against MHV-nLuc infected in DBT cells assessed as effect on ... | 36111834 |
| Murine hepatitis virus | IC50 | = | 40.74 | nM | 7.39 | 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 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | Murine hepatitis virus | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37981443 | 10.1016/j.ejmech.2023.115923 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
Data from ChEMBL 36 via Core Engine