Compound Detail
CHEMBL1940461
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Basic Information
| ChEMBL ID | CHEMBL1940461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWTWXEGNCAKJMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
6.32
ALogP
5
HBA
0
HBD
73.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B5 | EC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against Human coxsackievirus B5 Ohio-1 infected in african gr... | 22047799 |
| NON-PROTEIN TARGET | EC50 | = | 39000.0 | nM | 4.41 | Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... | 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