Compound Detail
CHEMBL2011390
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Basic Information
| ChEMBL ID | CHEMBL2011390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLOBMDQLCHTQOX-YHYXMXQVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
2.84
ALogP
6
HBA
2
HBD
87.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Escherichia coli DNA gyrase B using relaxed pNO1 as substrate afte... | 22444877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22444877 | 10.1016/j.bmc.2012.02.052 | Unchecked | 2 |
| 22444877 | 10.1016/j.bmc.2012.02.052 | Staphylococcus aureus | 1 |
| 22444877 | 10.1016/j.bmc.2012.02.052 | Enterococcus faecalis | 1 |
| 22444877 | 10.1016/j.bmc.2012.02.052 | Haemophilus influenzae | 1 |
Data from ChEMBL 36 via Core Engine