Compound Detail
CHEMBL2296717
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Basic Information
| ChEMBL ID | CHEMBL2296717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYPXPCLPMNHINZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
320.7
MW (Da)
3.47
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 69000.0 | nM | 4.16 | Antiviral activity against Bovine viral diarrhea virus 1 infected bovine MDBK ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0342-1 | ADMET | 2 |
| - | 10.1007/s00044-012-0342-1 | Unchecked | 1 |
| - | 10.1007/s00044-012-0342-1 | Respiratory syncytial virus | 1 |
| - | 10.1007/s00044-012-0342-1 | Poliovirus 1 | 1 |
| - | 10.1007/s00044-012-0342-1 | Vesicular stomatitis virus | 1 |
| - | 10.1007/s00044-012-0342-1 | Coxsackievirus B2 | 1 |
| - | 10.1007/s00044-012-0342-1 | Vaccinia virus | 1 |
| - | 10.1007/s00044-012-0342-1 | Human alphaherpesvirus 1 | 1 |
| - | 10.1007/s00044-012-0342-1 | Mammalian orthoreovirus 1 | 1 |
| - | 10.1007/s00044-012-0342-1 | Yellow fever virus | 1 |
| - | 10.1007/s00044-012-0342-1 | Bovine viral diarrhea virus 1 | 1 |
| - | 10.1007/s00044-012-0342-1 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-012-0342-1 | BHK-21 | 1 |
| - | 10.1007/s00044-012-0342-1 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine