Compound Detail
CHEMBL5568317
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Basic Information
| ChEMBL ID | CHEMBL5568317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKUJBBKHBVPMTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.04
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.13 | 7.13 | 73.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 9.3 | nM | 8.03 | Inhibition of PIKfyve (unknown origin) | 37981443 |
| SARS-CoV-2 | IC50 | = | 73.3 | nM | 7.13 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 a... | 37981443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37981443 | 10.1016/j.ejmech.2023.115923 | SARS-CoV-2 | 1 |
| 37981443 | 10.1016/j.ejmech.2023.115923 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
Data from ChEMBL 36 via Core Engine