Compound Detail
CHEMBL8755
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Basic Information
| ChEMBL ID | CHEMBL8755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WILLZMOKUUPJSL-AWEZNQCLSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.34
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PhzR CHEMBL1075213 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 7.48 | 7.44 | 33.0 | 2 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PhzR | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli as... | 18083553 |
| Transcriptional activator protein LasR | EC50 | = | 33.0 | nM | 7.48 | Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Es... | 20669927 |
| Transcriptional activator protein LasR | EC50 | = | 40.0 | nM | 7.4 | Agonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichi... | 20669927 |
| Transcriptional activator protein LasR | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Pseudomonas aeruginosa LasR | 21855349 |
| Mus musculus | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of murine splenocyte proliferation | 12502363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LasR | 2 |
| 12502363 | 10.1021/jm020909n | Mus musculus | 1 |
| 16460931 | 10.1016/j.bmcl.2006.01.054 | P388 | 1 |
| 18083553 | 10.1016/j.bmcl.2007.11.095 | PhzR | 1 |
| 21855349 | 10.1016/j.bmc.2011.07.044 | Transcriptional activator protein LasR | 1 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LuxR | 1 |
| 24592914 | 10.1021/jm500215s | Unchecked | 1 |
| 24592914 | 10.1021/jm500215s | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine