Compound Detail
CHEMBL5589992
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Basic Information
| ChEMBL ID | CHEMBL5589992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEGRYFDAPPYJKI-HNNXBMFYSA-N |
4
Targets
4
Activities
1
Assay Types
6
PK Parameters
8
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.20
ALogP
4
HBA
2
HBD
73.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.44 | 7.44 | 36.0 | 1 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 7.24 | 7.24 | 58.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 6.94 | 6.94 | 116.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 6.51 | 6.51 | 307.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 706.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 49.0 | mL.min-1.kg-1 | Mus musculus |
| F | 33.0 | % | Mus musculus |
| MRT | 1.4 | hr | Mus musculus |
| MRT | - | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 36.0 | nM | 7.44 | Inhibition of STT3A/STT3B mediated N-linked glycosylation in human H1-HeLa cells... | 39136957 |
| Human coronavirus 229E | EC50 | = | 58.0 | nM | 7.24 | Antiviral activity against Human coronavirus 229E infected in human MRC5 cells a... | 39136957 |
| SARS-CoV-2 | EC50 | = | 116.0 | nM | 6.94 | Antiviral activity against SARS-CoV-2 infected in human A549 cells assessed as r... | 39136957 |
| Influenza A virus | EC50 | = | 307.0 | nM | 6.51 | Antiviral activity against influenza A virus H1N1 A/Puerto Rico/8/1934 infected ... | 39136957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39136957 | 10.1021/acs.jmedchem.4c01402 | ADMET | 9 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | A549 | 2 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | Unchecked | 1 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | Influenza A virus | 1 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | Human respirovirus 3 | 1 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | Human coronavirus 229E | 1 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | SARS-CoV-2 | 1 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine