Compound Detail
CHEMBL1940468
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Basic Information
| ChEMBL ID | CHEMBL1940468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEOKNYMWBYXUBA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
259.7
MW (Da)
2.69
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Vesicular stomatitis Indiana virus CHEMBL613172 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Reovirus sp. CHEMBL613721 | EC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 6500.0 | nM | 5.19 | Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... | 22047799 |
| Human orthopneumovirus | EC50 | = | 18000.0 | nM | 4.75 | Antiviral activity against Human respiratory syncytial virus A2 infected in afri... | 22047799 |
| Vesicular stomatitis Indiana virus | EC50 | = | 35000.0 | nM | 4.46 | Antiviral activity against clinical isolate Vesicular stomatitis Indiana virus i... | 22047799 |
| Reovirus sp. | EC50 | = | 36000.0 | nM | 4.44 | Antiviral activity against Reovirus type-1 3651 infected in hamster BHK21 cells ... | 22047799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047799 | 10.1016/j.bmc.2011.10.009 | NON-PROTEIN TARGET | 2 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | MT4 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human immunodeficiency virus 1 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | ADMET | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | BHK-21 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Yellow fever virus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Reovirus sp. | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Vero | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Coxsackievirus B5 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Poliovirus 1 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human orthopneumovirus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Vesicular stomatitis Indiana virus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine