Compound Detail
CHEMBL5591328
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Basic Information
| ChEMBL ID | CHEMBL5591328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBPZLMFAFUOMBO-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
3.86
ALogP
4
HBA
0
HBD
37.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | EC50 | 6.26 | 6.165 | 543.0 | 2 |
| Sudan ebolavirus CHEMBL5291667 | EC50 | 5.91 | 5.91 | 1230.0 | 1 |
| Bundibugyo virus CHEMBL6066657 | EC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Marburgvirus CHEMBL4296577 | EC50 | 5.37 | 5.24 | 4290.0 | 2 |
| Tai Forest ebolavirus CHEMBL6066662 | EC50 | 5.28 | 5.28 | 5280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | EC50 | = | 543.0 | nM | 6.26 | Antiviral activity against pseudotyped EBOV Mayinga infected in human A549 cells... | 39169825 |
| Ebolavirus | EC50 | = | 854.0 | nM | 6.07 | Antiviral activity against EBOV Mayinga infected in human HeLa cells assessed as... | 39169825 |
| Sudan ebolavirus | EC50 | = | 1230.0 | nM | 5.91 | Antiviral activity against pseudotyped Sudan ebolavirus Gulu infected in human A... | 39169825 |
| Bundibugyo virus | EC50 | = | 1390.0 | nM | 5.86 | Antiviral activity against pseudotyped Bundibugyo virus infected in human A549 c... | 39169825 |
| Marburgvirus | EC50 | = | 4290.0 | nM | 5.37 | Antiviral activity against Marburgvirus Angola infected in human Huh-7 cells ass... | 39169825 |
| Tai Forest ebolavirus | EC50 | = | 5280.0 | nM | 5.28 | Antiviral activity against pseudotyped Tai Forest ebolavirus infected in human A... | 39169825 |
| Marburgvirus | EC50 | = | 7840.0 | nM | 5.11 | Antiviral activity against pseudotyped Marburgvirus Angola infected in human A54... | 39169825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Ebolavirus | 2 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | ADMET | 2 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Marburgvirus | 2 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Sudan ebolavirus | 2 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | A549 | 1 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Bundibugyo virus | 1 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Tai Forest ebolavirus | 1 |
Data from ChEMBL 36 via Core Engine