Compound Detail
CHEMBL5619765
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Basic Information
| ChEMBL ID | CHEMBL5619765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGWCTROONONUPE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.63
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.72
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 5.82 | 5.82 | 1509.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta | IC50 | = | 1509.0 | nM | 5.82 | Inhibition of Phosphatidylinositol 4-Kinase III beta (unknown origin) preincubat... | 39032404 |
| rhinovirus A21 | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Human rhinovirus A21 infected in human H1-HeLa cells ... | 39032404 |
| rhinovirus B14 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Human rhinovirus B14 infected in human H1-HeLa cells ... | 39032404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39032404 | 10.1016/j.ejmech.2024.116690 | ADMET | 2 |
| 39032404 | 10.1016/j.ejmech.2024.116690 | Phosphatidylinositol 4-kinase beta | 1 |
| 39032404 | 10.1016/j.ejmech.2024.116690 | H1-HeLa | 1 |
| 39032404 | 10.1016/j.ejmech.2024.116690 | rhinovirus B14 | 1 |
| 39032404 | 10.1016/j.ejmech.2024.116690 | rhinovirus A21 | 1 |
| 39032404 | 10.1016/j.ejmech.2024.116690 | Phosphatidylinositol 4-kinase alpha | 1 |
Data from ChEMBL 36 via Core Engine