Compound Detail
CHEMBL4530977
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Basic Information
| ChEMBL ID | CHEMBL4530977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLFZXMGBSNPIQC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
6.17
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | EC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Rhinovirus | 31226653 |
| Enterovirus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Enterovirus infected in human H1-HeLa cells incubated... | 38685143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Enterovirus | 1 |
| 38685143 | 10.1016/j.ejmech.2024.116442 | Enterovirus | 1 |
Data from ChEMBL 36 via Core Engine