Compound Detail
CHEMBL5266949
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Basic Information
| ChEMBL ID | CHEMBL5266949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEMRHGBMGNFGPQ-VIFPVBQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
213.3
MW (Da)
1.24
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HTH-type quorum-sensing regulator RhlR CHEMBL3112386 | EC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HTH-type quorum-sensing regulator RhlR | EC50 | = | 1020.0 | nM | 5.99 | Agonist activity against RhlR in Pseudomonas aeruginosa PAO-JP2 expressing prhlI... | 34626877 |
| Unchecked | EC50 | = | 1420.0 | nM | 5.85 | Agonist activity against RhlR in Escherichia coli expressing JLD271/pJN105R2/pSC... | 34626877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34626877 | 10.1016/j.ejmech.2021.113864 | Unchecked | 1 |
| 34626877 | 10.1016/j.ejmech.2021.113864 | HTH-type quorum-sensing regulator RhlR | 1 |
Data from ChEMBL 36 via Core Engine