Compound Detail
CHEMBL1084905
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Basic Information
| ChEMBL ID | CHEMBL1084905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNGGTMVCGMXBBV-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.61
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 5.89 | 5.495 | 1288.2 | 4 |
| Calf thymus DNA CHEMBL612514 | IC50 | 4.06 | 4.06 | 87096.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 6.16 | - | Bos taurus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 1288.25 | nM | 5.89 | Antiviral activity against Vesicular stomatitis virus in mouse L929 cells assess... | 20056519 |
| Vesicular stomatitis virus | IC50 | = | 2691.53 | nM | 5.57 | Antiviral activity against Vesicular stomatitis virus in EPT cells assessed as i... | 20056519 |
| Vesicular stomatitis virus | IC50 | = | 3801.89 | nM | 5.42 | Antiviral activity against Vesicular stomatitis virus infected in mouse L929 cel... | 20056519 |
| Vesicular stomatitis virus | IC50 | = | 7943.28 | nM | 5.1 | Antiviral activity against Vesicular stomatitis virus infected in EPT cells asse... | 20056519 |
| Calf thymus DNA | IC50 | = | 87096.36 | nM | 4.06 | Binding affinity to calf thymus DNA by ethidium bromide displacement assay | 21172726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20056519 | 10.1016/j.ejmech.2009.12.014 | Unchecked | 5 |
| 20056519 | 10.1016/j.ejmech.2009.12.014 | Vesicular stomatitis virus | 4 |
| 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 |
| 20056519 | 10.1016/j.ejmech.2009.12.014 | ADMET | 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