Compound Detail
CHEMBL3589831
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[N-]=[N+]=NCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL3589831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBXMQTRWWXTLIJ-FYGCWZCISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
-0.89
ALogP
8
HBA
5
HBD
177.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 5800.0 | nM | 5.24 | Binding affinity to Pseudomonas aeruginosa LecA | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00346A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine