Compound Detail
CHEMBL4515315
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C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)NOCc3ccccc3)nn2)[C@@H](O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4515315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSKUSXNFDBZWOZ-JBOLQRTASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
0.43
ALogP
10
HBA
4
HBD
148.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fucose-binding lectin PA-IIL CHEMBL4523938 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fucose-binding lectin PA-IIL | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay | 31449405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31449405 | 10.1021/acs.jmedchem.9b00481 | Fucose-binding lectin PA-IIL | 1 |
Data from ChEMBL 36 via Core Engine