Compound Detail
CHEMBL5593953
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Basic Information
| ChEMBL ID | CHEMBL5593953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIDNVERLAAROST-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
469.9
MW (Da)
6.42
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sudan ebolavirus CHEMBL5291667 | EC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Ebolavirus CHEMBL4434621 | EC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Bundibugyo virus CHEMBL6066657 | EC50 | 4.44 | 4.44 | 36400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sudan ebolavirus | EC50 | = | 2390.0 | nM | 5.62 | Antiviral activity against pseudotyped Sudan ebolavirus Gulu infected in human A... | 39169825 |
| Ebolavirus | EC50 | = | 11700.0 | nM | 4.93 | Antiviral activity against pseudotyped EBOV Mayinga infected in human A549 cells... | 39169825 |
| Bundibugyo virus | EC50 | = | 36400.0 | nM | 4.44 | Antiviral activity against pseudotyped Bundibugyo virus infected in human A549 c... | 39169825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39169825 | 10.1021/acs.jmedchem.4c00527 | ADMET | 2 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Ebolavirus | 1 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Marburgvirus | 1 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | A549 | 1 |
| 39169825 | 10.1021/acs.jmedchem.4c00527 | Sudan ebolavirus | 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