Compound Detail
CHEMBL5618113
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 | CHEMBL5618113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVAGDMXSKHFHKS-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.18
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.5
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
| rhinovirus A16 CHEMBL613769 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Phosphatidylinositol 4-Kinase III beta (unknown origin) preincubat... | 39032404 |
| rhinovirus B14 | EC50 | = | 32.0 | nM | 7.5 | Antiviral activity against Human rhinovirus B14 infected in human H1-HeLa cells ... | 39032404 |
| rhinovirus A16 | EC50 | = | 56.0 | nM | 7.25 | Antiviral activity against Human rhinovirus A16 infected in human H1-HeLa cells ... | 39032404 |
| rhinovirus A21 | EC50 | = | 61.0 | nM | 7.21 | Antiviral activity against Human rhinovirus A21 infected in human H1-HeLa cells ... | 39032404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39032404 | 10.1016/j.ejmech.2024.116690 | ADMET | 3 |
| 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 A16 | 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