Compound Detail
CHEMBL4873788
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Basic Information
| ChEMBL ID | CHEMBL4873788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XALXOSMGSTXHRZ-VHSXEESVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
1.95
ALogP
6
HBA
2
HBD
76.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.19 | 4.19 | 64400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Respiratory syncytial virus assessed as reduction in ... | 33894564 |
| Human alphaherpesvirus 3 | EC50 | = | 64400.0 | nM | 4.19 | Antiviral activity against thymidine kinase deficient Varicella zoster virus | 33894564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894564 | 10.1016/j.ejmech.2021.113467 | Human alphaherpesvirus 3 | 2 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | Human betaherpesvirus 5 | 2 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | HEL | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | Vero | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | Respiratory syncytial virus | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | HEp-2 | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | MDCK | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | ADMET | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine