Compound Detail
CHEMBL4476635
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Basic Information
| ChEMBL ID | CHEMBL4476635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKLGWJUBUPDJJI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
327.1
MW (Da)
3.86
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Human adenovirus 5 CHEMBL612237 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.6 | 2170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 57.0 | nM | 7.24 | Antiviral activity against SARS-CoV-2 infected in African Green monkey Vero cell... | 35344901 |
| Human adenovirus 5 | IC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Human adenovirus 5 infected in 293beta5 cells assesse... | 32045239 |
| Unchecked | IC50 | = | 2170.0 | nM | 5.66 | Inhibition of NS-1in Zika virus | 33689873 |
| Unchecked | IC50 | = | 2870.0 | nM | 5.54 | Inhibition of envelope protein in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35344901 | 10.1016/j.ejmech.2022.114295 | ADMET | 4 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Human adenovirus 5 | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | Vero C1008 | 2 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | A549 | 1 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Unchecked | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | SARS-CoV-2 | 1 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | No relevant target | 1 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine