Compound Detail
CHEMBL185977
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Basic Information
| ChEMBL ID | CHEMBL185977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBEVYEXHWICOJU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
2.04
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 20300.0 | nM | 4.69 | In vitro inhibitory activity against Escherichia coli | 15546716 |
| Staphylococcus aureus | IC50 | = | 42000.0 | nM | 4.38 | In vitro inhibitory activity against Staphylococcus aureus | 15546716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546716 | 10.1016/j.bmcl.2004.09.087 | Escherichia coli | 1 |
| 15546716 | 10.1016/j.bmcl.2004.09.087 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine