Compound Detail
CHEMBL1818523
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Basic Information
| ChEMBL ID | CHEMBL1818523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXSUYIPTSOFKRD-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.22
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 7.52 | 6.88 | 30.0 | 3 |
| Transcriptional regulator MvfR CHEMBL2424500 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein LasR | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Pseudomonas aeruginosa LasR | 21855349 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of quorum sensing in Pseudomonas aeruginosa assessed as inhibition of... | 20669927 |
| Transcriptional activator protein LasR | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of... | 29999316 |
| Transcriptional regulator MvfR | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PAO1 assessed as... | 38801798 |
| Transcriptional activator protein LasR | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu... | 31918952 |
| Molecular identity unknown | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of quorum sensing system in Pseudomonas aeruginosa MW1 assessed as in... | 34626877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34626877 | 10.1016/j.ejmech.2021.113864 | Molecular identity unknown | 2 |
| 21855349 | 10.1016/j.bmc.2011.07.044 | Transcriptional activator protein LasR | 1 |
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
| 29999316 | 10.1021/acs.jmedchem.8b00540 | Transcriptional activator protein LasR | 1 |
| 31918952 | 10.1016/j.bmc.2019.115282 | Transcriptional activator protein LasR | 1 |
| 38801798 | 10.1016/j.ejmech.2024.116525 | Transcriptional regulator MvfR | 1 |
Data from ChEMBL 36 via Core Engine