Compound Detail
CHEMBL185719
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Basic Information
| ChEMBL ID | CHEMBL185719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRKOKYOPVHNGAT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
3.39
ALogP
5
HBA
2
HBD
75.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
| Escherichia coli CHEMBL354 | IC50 | 5.36 | 5.36 | 4400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibitory activity against Staphylococcus aureus | 15546716 |
| Staphylococcus aureus | IC50 | = | 2000.0 | nM | 5.7 | Antibacterial activity against Staphylococcus aureus | 28605676 |
| Escherichia coli | IC50 | = | 4400.0 | nM | 5.36 | In vitro inhibitory activity against Escherichia coli | 15546716 |
| Escherichia coli | IC50 | = | 4400.0 | nM | 5.36 | Antibacterial activity against Escherichia coli | 28605676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546716 | 10.1016/j.bmcl.2004.09.087 | Escherichia coli | 4 |
| 15546716 | 10.1016/j.bmcl.2004.09.087 | Staphylococcus aureus | 3 |
| 28605676 | 10.1016/j.ejmech.2017.06.002 | Escherichia coli | 1 |
| 28605676 | 10.1016/j.ejmech.2017.06.002 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine