Compound Detail
CHEMBL186155
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Basic Information
| ChEMBL ID | CHEMBL186155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOSHFTGUNAEXDE-BWUCMLAFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.20
ALogP
5
HBA
4
HBD
115.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 0.7 | nM | 9.15 | In vitro inhibitory activity against Escherichia coli | 15546716 |
| Staphylococcus aureus | IC50 | = | 2.0 | nM | 8.7 | 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 | 4 |
| 15546716 | 10.1016/j.bmcl.2004.09.087 | Staphylococcus aureus | 3 |
Data from ChEMBL 36 via Core Engine