Compound Detail
CHEMBL4441098
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Basic Information
| ChEMBL ID | CHEMBL4441098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIAWYOJOIHFYFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.0
MW (Da)
3.99
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | IC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HIV-1-derived Ebolavirus pseudoparticle infected in h... | 30785281 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Antiviral activity against pseudotyped Ebola virus assessed as inhibition of vir... | 35872393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30785281 | 10.1021/acs.jmedchem.8b01328 | Ebolavirus | 2 |
| 30785281 | 10.1021/acs.jmedchem.8b01328 | Unchecked | 1 |
| 35872393 | 10.1016/j.ejmech.2022.114608 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine