Compound Detail
CHEMBL393458
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Basic Information
| ChEMBL ID | CHEMBL393458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJTZPRQEDHJPHV-QMMMGPOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
-0.36
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vibrio harveyi CHEMBL613174 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vibrio harveyi | IC50 | = | 2100.0 | nM | 5.68 | Induction of bioluminescence in Vibrio harveyi after 4 hrs by beta-Gal reporter ... | 17169556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17169556 | 10.1016/j.bmcl.2006.11.076 | Vibrio harveyi | 1 |
| 17169556 | 10.1016/j.bmcl.2006.11.076 | Salmonella typhimurium | 1 |
| 17169556 | 10.1016/j.bmcl.2006.11.076 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine