Compound Detail
CHEMBL4754864
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Basic Information
| ChEMBL ID | CHEMBL4754864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUKANFTWZXJIGD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.76
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zaire ebolavirus CHEMBL4513181 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
| Marburgvirus CHEMBL4296577 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zaire ebolavirus | IC50 | = | 1740.0 | nM | 5.76 | Antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in ... | 32886512 |
| Marburgvirus | IC50 | = | 4400.0 | nM | 5.36 | Antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A54... | 32886512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Unchecked | 2 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Zaire ebolavirus | 1 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Marburgvirus | 1 |
Data from ChEMBL 36 via Core Engine