Compound Detail
CHEMBL3734841
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Basic Information
| ChEMBL ID | CHEMBL3734841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGFJFPIMVFEFDF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
279.2
MW (Da)
3.14
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human orthopneumovirus CHEMBL613127 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human orthopneumovirus | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against human RSV infected in african green monkey Vero76 cel... | 26443549 |
| Yellow fever virus | EC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against YFV infected in BHK-21 cells assessed as inhibition o... | 26443549 |
| dengue virus type 2 | EC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against DENV-2 infected in BHK-21 cells assessed as inhibitio... | 26443549 |
| Bovine viral diarrhea virus 1 | EC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against BVDV infected in MDBK cells assessed as inhibition of... | 26443549 |
| Poliovirus 1 | EC50 | = | 80000.0 | nM | 4.1 | Antiviral activity against Human poliovirus 1 Sabin infected in african green mo... | 26443549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26443549 | 10.1016/j.bmc.2015.09.035 | Unchecked | 5 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | ADMET | 3 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | MT4 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Bovine viral diarrhea virus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Yellow fever virus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | NON-PROTEIN TARGET | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Coxsackievirus B5 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Human orthopneumovirus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Poliovirus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Human immunodeficiency virus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | dengue virus type 2 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | West Nile virus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Human alphaherpesvirus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Vesicular stomatitis virus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine