Compound Detail
CHEMBL1940451
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Basic Information
| ChEMBL ID | CHEMBL1940451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCWLBFXSHZRXHT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.69
ALogP
4
HBA
1
HBD
84.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.7 | 4.7 | 20000.0 | 2 |
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Reovirus sp. CHEMBL613721 | EC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... | 22047799 |
| NON-PROTEIN TARGET | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti... | 27161176 |
| Coxsackievirus B5 | EC50 | = | 35000.0 | nM | 4.46 | Antiviral activity against Human coxsackievirus B5 Ohio-1 infected in african gr... | 22047799 |
| Reovirus sp. | EC50 | = | 67000.0 | nM | 4.17 | 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 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine