Compound Detail
CHEMBL5204247
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Basic Information
| ChEMBL ID | CHEMBL5204247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEDZABSECDCQEC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
3.91
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2200.0 | nM | 5.66 | Antiviral activity against Human rhinovirus A71 infected in human H1-HeLa cells ... | 35292344 |
| rhinovirus B14 | EC50 | = | 4200.0 | nM | 5.38 | Antiviral activity against Human rhinovirus B14 infected in human H1-HeLa cells ... | 35292344 |
| rhinovirus A21 | EC50 | = | 5100.0 | nM | 5.29 | Antiviral activity against Human rhinovirus A21 infected in human H1-HeLa cells ... | 35292344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35292344 | 10.1016/j.bmcl.2022.128673 | ADMET | 3 |
| 35292344 | 10.1016/j.bmcl.2022.128673 | rhinovirus B14 | 1 |
| 35292344 | 10.1016/j.bmcl.2022.128673 | rhinovirus A21 | 1 |
| 35292344 | 10.1016/j.bmcl.2022.128673 | Unchecked | 1 |
| 35292344 | 10.1016/j.bmcl.2022.128673 | H1-HeLa | 1 |
Data from ChEMBL 36 via Core Engine