Compound Detail
CHEMBL4861968
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Basic Information
| ChEMBL ID | CHEMBL4861968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTIDRXNVEIDIIT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
5.64
ALogP
5
HBA
0
HBD
48.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Junin virus CHEMBL4523072 | EC50 | 9.47 | 9.47 | 0.3 | 1 |
| Lassa virus CHEMBL615051 | EC50 | 8.91 | 8.91 | 1.2 | 1 |
| Machupo mammarenavirus CHEMBL4888477 | EC50 | 8.78 | 8.78 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Junin virus | EC50 | = | 0.34 | nM | 9.47 | Antiviral activity against pseudotyped Junin virus | 33965007 |
| Lassa virus | EC50 | = | 1.24 | nM | 8.91 | Antiviral activity against pseudotyped Lassa mammarenavirus | 33965007 |
| Machupo mammarenavirus | EC50 | = | 1.65 | nM | 8.78 | Antiviral activity against pseudotyped Machupo virus | 33965007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33965007 | 10.1016/j.bmcl.2021.127983 | ADMET | 2 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Lassa virus | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Machupo mammarenavirus | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Junin virus | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Vero | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine