Compound Detail
CHEMBL3809700
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Basic Information
| ChEMBL ID | CHEMBL3809700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYMBXAXDSMBVAI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
5.15
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.21 | 4.605 | 6100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 6100.0 | nM | 5.21 | Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti... | 27161176 |
| NON-PROTEIN TARGET | EC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against Reovirus type-1 3651 infected in BHK21 cells assessed... | 27161176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161176 | 10.1016/j.ejmech.2016.03.080 | ADMET | 3 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | NON-PROTEIN TARGET | 2 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Unchecked | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Yellow fever virus | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Coxsackievirus B2 | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Poliovirus 1 | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Respiratory syncytial virus | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Vesicular stomatitis virus | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine