Compound Detail
CHEMBL2262347
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Basic Information
| ChEMBL ID | CHEMBL2262347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXALPOWPVJWXGL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.40
ALogP
6
HBA
0
HBD
43.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B2 CHEMBL613202 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B2 | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against Human coxsackievirus B2 infected African green monkey... | - |
| Yellow fever virus | EC50 | = | 52000.0 | nM | 4.28 | Antiviral activity against Yellow fever virus infected BHK21 cells assessed as i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9513-0 | Unchecked | 2 |
| - | 10.1007/s00044-010-9513-0 | ADMET | 2 |
| - | 10.1007/s00044-010-9513-0 | Yellow fever virus | 1 |
| - | 10.1007/s00044-010-9513-0 | Bovine viral diarrhea virus 1 | 1 |
| - | 10.1007/s00044-010-9513-0 | BHK-21 | 1 |
| - | 10.1007/s00044-010-9513-0 | Mammalian orthoreovirus 1 | 1 |
| - | 10.1007/s00044-010-9513-0 | Human alphaherpesvirus 1 | 1 |
| - | 10.1007/s00044-010-9513-0 | Vesicular stomatitis virus | 1 |
| - | 10.1007/s00044-010-9513-0 | Vaccinia virus | 1 |
| - | 10.1007/s00044-010-9513-0 | Poliovirus 1 | 1 |
| - | 10.1007/s00044-010-9513-0 | Coxsackievirus B2 | 1 |
| - | 10.1007/s00044-010-9513-0 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-010-9513-0 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-010-9513-0 | Candida albicans | 1 |
| - | 10.1007/s00044-010-9513-0 | Aspergillus niger | 1 |
| - | 10.1007/s00044-010-9513-0 | MT4 | 1 |
| - | 10.1007/s00044-010-9513-0 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine