Compound Detail
CHEMBL3735511
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Basic Information
| ChEMBL ID | CHEMBL3735511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNXCZYJADNODT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
4.51
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Human poliovirus 1 strain Sabin CHEMBL2366966 | EC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against BVDV NADL ATCC VR-534 infected in MDBK cells assessed... | 26479028 |
| Respiratory syncytial virus | EC50 | = | 9000.0 | nM | 5.05 | Antiviral activity against RSVA2 ATCC VR-1540 infected in african green monkey V... | 26479028 |
| NON-PROTEIN TARGET | EC50 | = | 21000.0 | nM | 4.68 | Antiviral activity against Reovirus 1 ATCC VR- 214 infected in BHK21 cells asses... | 26479028 |
| Human poliovirus 1 strain Sabin | EC50 | = | 73000.0 | nM | 4.14 | Antiviral activity against Human poliovirus 1 strain Sabin 1 virus infected in a... | 26479028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26479028 | 10.1016/j.ejmech.2015.10.002 | ADMET | 3 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human immunodeficiency virus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | MT4 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Bovine viral diarrhea virus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Yellow fever virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | NON-PROTEIN TARGET | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Coxsackievirus B5 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human poliovirus 1 strain Sabin | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Respiratory syncytial virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Vesicular stomatitis virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Vaccinia virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine