Compound Detail
CHEMBL4175245
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NS(=O)(=O)c1ccc(N2N=C(c3ccc(OCc4ccccc4)cc3)CC2c2cccc(F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4175245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBDPKBPVLOKPOA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
5.41
ALogP
5
HBA
1
HBD
85.0
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Yellow fever virus 17D vaccine (Stamaril Pasteur J07B... | 29028528 |
| Unchecked | EC50 | = | 8500.0 | nM | 5.07 | Antiviral activity against Human enterovirus B Faulkner ATCC VR 185 infected in ... | 29028528 |
| Bovine viral diarrhea virus 1 | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Bovine viral diarrhea virus NADL ATCC VR 534 infected... | 29028528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Unchecked | 5 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Yellow fever virus | 2 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vero 76 | 2 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | BHK-21 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | dengue virus type 2 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | West Nile virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Bovine viral diarrhea virus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | MT4 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human immunodeficiency virus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Mammalian orthoreovirus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Enterovirus C | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vaccinia virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human alphaherpesvirus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vesicular stomatitis Indiana virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human orthopneumovirus | 1 |
Data from ChEMBL 36 via Core Engine