Compound Detail
CHEMBL408326
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Basic Information
| ChEMBL ID | CHEMBL408326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VORQHUVHBIHSJY-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.5
MW (Da)
2.75
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PhzR CHEMBL1075213 | EC50 | 5.8 | 5.8 | 1592.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PhzR | EC50 | = | 1592.0 | nM | 5.8 | Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JL... | 29793752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29793752 | 10.1016/j.bmc.2018.05.018 | PhzR | 4 |
| 29793752 | 10.1016/j.bmc.2018.05.018 | Transcriptional activator protein LasR | 4 |
| 18083553 | 10.1016/j.bmcl.2007.11.095 | PhzR | 2 |
Data from ChEMBL 36 via Core Engine