Compound Detail
CHEMBL5189479
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5189479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UURQNWXEVMJFBX-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.70
ALogP
4
HBA
3
HBD
87.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 8.74 | 8.18 | 1.8 | 3 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.62 | 7.62 | 23.9 | 1 |
| Murine hepatitis virus CHEMBL613733 | IC50 | 7.13 | 7.13 | 74.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 12.7 | nM | 7.9 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 12.59 | nM | 7.9 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| SARS-CoV-2 | IC50 | = | 23.9 | nM | 7.62 | Antiviral activity against SARS-CoV-2 infected in human A549-ACE2 cells assessed... | 36111834 |
| Murine hepatitis virus | IC50 | = | 74.0 | nM | 7.13 | Antiviral activity against MHV-nLuc infected in DBT cells assessed as effect on ... | 36111834 |
| Murine hepatitis virus | IC50 | = | 74.13 | nM | 7.13 | 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 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine