Compound Detail
CHEMBL590664
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Cc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)[C@@H]1[C@H](O)CCN1C(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)CSC2
Basic Information
| ChEMBL ID | CHEMBL590664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSQBBUCGXSRLHM-UBOLUKANSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
625.7
MW (Da)
-2.32
ALogP
12
HBA
8
HBD
257.9
PSA (Ų)
0.15
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Inhibition of Escherichia coli DNA gyrase B ATPase activity | 20045642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20045642 | 10.1016/j.bmcl.2009.12.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine