Compound Detail
CHEMBL4291747
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Basic Information
| ChEMBL ID | CHEMBL4291747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNPXJDFVFVHUPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.53
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus 229E CHEMBL613837 | EC50 | 5.05 | 5.05 | 8950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus 229E | EC50 | = | 8950.0 | nM | 5.05 | Antiviral activity against Human coronavirus 229E infected in HEL cells assessed... | 30286952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Unchecked | 6 |
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Human alphaherpesvirus 1 | 2 |
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Human coronavirus 229E | 1 |
| 30286952 | 10.1016/j.bmcl.2018.09.019 | HEL | 1 |
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Human alphaherpesvirus 2 | 1 |
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Vaccinia virus | 1 |
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Human adenovirus 2 | 1 |
Data from ChEMBL 36 via Core Engine