Compound Detail
CHEMBL568020
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Basic Information
| ChEMBL ID | CHEMBL568020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJDNVMISTFWXEK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.30
ALogP
6
HBA
2
HBD
97.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1075021 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| ParE CHEMBL1075022 | IC50 | 6.92 | 6.92 | 119.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 44.0 | nM | 7.36 | Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate ass... | 19683922 |
| ParE | IC50 | = | 119.0 | nM | 6.92 | Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins | 19683922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19683922 | 10.1016/j.bmcl.2009.07.141 | Streptococcus pneumoniae | 2 |
| 19683922 | 10.1016/j.bmcl.2009.07.141 | DNA gyrase subunit B | 1 |
| 19683922 | 10.1016/j.bmcl.2009.07.141 | ParE | 1 |
| 19683922 | 10.1016/j.bmcl.2009.07.141 | Staphylococcus aureus | 1 |
| 19683922 | 10.1016/j.bmcl.2009.07.141 | Streptococcus pyogenes | 1 |
Data from ChEMBL 36 via Core Engine