Compound Detail
CHEMBL4748176
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Basic Information
| ChEMBL ID | CHEMBL4748176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCAMTBFFNOHDAW-UZYVYHOESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
91.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Venezuelan equine encephalitis virus CHEMBL613726 | EC50 | 8.0 | 7.85 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Venezuelan equine encephalitis virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Venezuelan equine encephalitis virus TC-83 infected i... | 33214821 |
| Venezuelan equine encephalitis virus | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against Venezuelan equine encephalitis virus TC-83 infected i... | 33214821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214821 | 10.1021/acsmedchemlett.0c00215 | Venezuelan equine encephalitis virus | 2 |
| 33214821 | 10.1021/acsmedchemlett.0c00215 | Unchecked | 2 |
| 33214821 | 10.1021/acsmedchemlett.0c00215 | SK-N-BE(2)-M17 | 1 |
| 33214821 | 10.1021/acsmedchemlett.0c00215 | N2a | 1 |
Data from ChEMBL 36 via Core Engine