Compound Detail
CHEMBL493698
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Basic Information
| ChEMBL ID | CHEMBL493698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFVLXWUDVQMAHA-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
1
PK Parameters
12
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.07
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.79
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 5.79 | 5.6433 | 1621.8 | 3 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 5.89 | - | Bos taurus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 1621.81 | nM | 5.79 | Antiviral activity against Vesicular stomatitis virus in EPT cells assessed as i... | 20056519 |
| Vesicular stomatitis virus | IC50 | = | 1621.81 | nM | 5.79 | Antiviral activity against Vesicular stomatitis virus in mouse L929 cells assess... | 20056519 |
| Vesicular stomatitis virus | IC50 | = | 4466.84 | nM | 5.35 | Antiviral activity against Vesicular stomatitis virus infected in mouse L929 cel... | 20056519 |
| Vaccinia virus | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| Vaccinia virus | EC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as reduction... | 18808105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20056519 | 10.1016/j.ejmech.2009.12.014 | Unchecked | 4 |
| 20056519 | 10.1016/j.ejmech.2009.12.014 | Vesicular stomatitis virus | 3 |
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 2 |
| 20056519 | 10.1016/j.ejmech.2009.12.014 | L929 | 2 |
| 21172726 | 10.1016/j.ejmech.2010.11.040 | Vesicular stomatitis virus | 2 |
| 21172726 | 10.1016/j.ejmech.2010.11.040 | L929 | 2 |
| 21172726 | 10.1016/j.ejmech.2010.11.040 | Calf thymus DNA | 2 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
| 20056519 | 10.1016/j.ejmech.2009.12.014 | ADMET | 1 |
| 20056519 | 10.1016/j.ejmech.2009.12.014 | NON-PROTEIN TARGET | 1 |
| 28666733 | 10.1016/j.bmcl.2017.06.035 | Unchecked | 1 |
| 28666733 | 10.1016/j.bmcl.2017.06.035 | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine