Compound Detail
CHEMBL4292339
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Basic Information
| ChEMBL ID | CHEMBL4292339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXDQNVZRRGTPNR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
372.3
MW (Da)
3.15
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HTH-type quorum-sensing regulator RhlR CHEMBL3112386 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HTH-type quorum-sensing regulator RhlR | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Pseudomonas aeruginosa GFP-fused RhlR expressed in Escherichia col... | 29999316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29999316 | 10.1021/acs.jmedchem.8b00540 | HTH-type quorum-sensing regulator RhlR | 1 |
Data from ChEMBL 36 via Core Engine