Compound Detail
CHEMBL5583722
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Basic Information
| ChEMBL ID | CHEMBL5583722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNONCKHHUCAZKR-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
8
PK Parameters
8
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.69
ALogP
3
HBA
1
HBD
56.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human respirovirus 3 CHEMBL613126 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.68 | 7.53 | 21.0 | 3 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 6.82 | 6.82 | 152.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 303.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 23136.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 61467.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 102538.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 2.0 | % | Mus musculus |
| F | - | % | Rattus norvegicus |
| MRT | 0.9 | hr | Mus musculus |
| MRT | 0.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human respirovirus 3 | EC50 | = | 9.0 | nM | 8.05 | Antiviral activity against Human parainfluenza virus 3 JS infected in human A549... | 39136957 |
| Unchecked | EC50 | = | 21.0 | nM | 7.68 | Inhibition of STT3A/STT3B mediated N-linked glycosylation in human H1-HeLa cells... | 39136957 |
| Human coronavirus 229E | EC50 | = | 25.0 | nM | 7.6 | Antiviral activity against Human coronavirus 229E infected in human MRC5 cells a... | 39136957 |
| SARS-CoV-2 | EC50 | = | 34.0 | nM | 7.47 | Antiviral activity against SARS-CoV-2 infected in human A549 cells assessed as r... | 39136957 |
| Unchecked | EC50 | = | 34.0 | nM | 7.47 | Inhibition of STT3A/STT3B mediated N-linked glycosylation in STT3A knockout huma... | 39136957 |
| Unchecked | EC50 | = | 36.0 | nM | 7.44 | Inhibition of STT3A/STT3B mediated N-linked glycosylation in STT3B knockout huma... | 39136957 |
| Influenza A virus | EC50 | = | 152.0 | nM | 6.82 | 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 | 12 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | Unchecked | 7 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | Influenza A virus | 3 |
| 39136957 | 10.1021/acs.jmedchem.4c01402 | A549 | 2 |
| 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