Compound Detail
CHEMBL1668378
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Basic Information
| ChEMBL ID | CHEMBL1668378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJYJEPGJABUGEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
5.38
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calf thymus DNA CHEMBL612514 | IC50 | 4.51 | 4.51 | 30903.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 6.61 | - | Bos taurus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calf thymus DNA | IC50 | = | 30902.95 | nM | 4.51 | Binding affinity to calf thymus DNA by ethidium bromide displacement assay | 21172726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 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