Compound Detail
CHEMBL1236450
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Basic Information
| ChEMBL ID | CHEMBL1236450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKUUVOPOQKZMFY-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
5.92
ALogP
5
HBA
1
HBD
98.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.85
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Transcriptional regulator MvfR CHEMBL2424500 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 14.0 | nM | 7.85 | Induction of quorum sensing activity in Pseudomonas aeruginosa assessed as maxim... | 20669927 |
| Transcriptional activator protein LasR | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at Pseudomonas aeruginosa LasR | 25699144 |
| Transcriptional regulator MvfR | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PAO1 assessed as... | 38801798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
| 25699144 | 10.1021/ml500459f | Transcriptional activator protein LasR | 1 |
| 38801798 | 10.1016/j.ejmech.2024.116525 | Transcriptional regulator MvfR | 1 |
Data from ChEMBL 36 via Core Engine