Compound Detail
CHEMBL4874618
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Basic Information
| ChEMBL ID | CHEMBL4874618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFMDUXOMXORZSY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
6.29
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Machupo mammarenavirus CHEMBL4888477 | EC50 | 9.92 | 9.92 | 0.1 | 1 |
| Junin virus CHEMBL4523072 | EC50 | 9.05 | 9.025 | 0.9 | 2 |
| Lassa virus CHEMBL615051 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Machupo mammarenavirus | EC50 | = | 0.12 | nM | 9.92 | Antiviral activity against pseudotyped Machupo virus | 33965007 |
| Junin virus | EC50 | = | 0.9 | nM | 9.05 | Antiviral activity against Junin virus by virus yield reduction assay | 33965007 |
| Junin virus | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against pseudotyped Junin virus | 33965007 |
| Lassa virus | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against pseudotyped Lassa mammarenavirus | 33965007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33965007 | 10.1016/j.bmcl.2021.127983 | ADMET | 9 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Lassa virus | 5 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Junin virus | 3 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Cytochrome P450 2C19 | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Cytochrome P450 2D6 | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Cytochrome P450 2B6 | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Cytochrome P450 2C9 | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Cytochrome P450 3A4 | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Cytochrome P450 1A2 | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Machupo mammarenavirus | 1 |
| 33965007 | 10.1016/j.bmcl.2021.127983 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine