Compound Detail
CHEMBL593328
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Basic Information
| ChEMBL ID | CHEMBL593328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBQSPNLMOXKZHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
274.2
MW (Da)
2.07
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 85400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 85400.0 | nM | 4.07 | Inhibition of Staphylococcus aureus FabI-mediated trans-2-octenoyl N-acetylcyste... | 24332629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24332629 | 10.1016/j.bmcl.2013.11.071 | Unchecked | 3 |
| 24332629 | 10.1016/j.bmcl.2013.11.071 | Staphylococcus aureus | 3 |
| 31136174 | 10.1021/acs.jnatprod.9b00290 | HepG2 | 2 |
| 19767211 | 10.1016/j.bmc.2009.08.051 | Unchecked | 1 |
| 19767211 | 10.1016/j.bmc.2009.08.051 | DNA polymerase beta | 1 |
| 24332629 | 10.1016/j.bmcl.2013.11.071 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine