Compound Detail
CHEMBL1234965
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Basic Information
| ChEMBL ID | CHEMBL1234965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEYZCVBECUYIJZ-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.09
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 7.53 | 7.53 | 29.7 | 1 |
| PhzR CHEMBL1075213 | EC50 | 5.48 | 5.48 | 3319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein LasR | EC50 | = | 29.66 | nM | 7.53 | Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli JL... | 29793752 |
| PhzR | EC50 | = | 3319.0 | nM | 5.48 | 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 | 2 |
| 29793752 | 10.1016/j.bmc.2018.05.018 | Transcriptional activator protein LasR | 2 |
| 24592914 | 10.1021/jm500215s | Unchecked | 1 |
| 24592914 | 10.1021/jm500215s | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine