Compound Detail
CHEMBL5397352
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OC[C@H]1O[C@@H](OCc2cn([C@@H]3[C@H](O)[C@@H](O)[C@H](c4cn([C@H]5[C@H](O)[C@@H](O)[C@H](n6cc([C@@H]7O[C@H](CO)[C@@H](n8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)[C@H](O)[C@H]7O)nn6)O[C@@H]5CO)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5397352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSDJVODUXIZSKO-KLFXLRMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1093.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA-I galactophilic lectin CHEMBL3351196 | Kd | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PA-I galactophilic lectin | Kd | = | 28.0 | nM | 7.55 | Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constan... | 36549118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36549118 | 10.1016/j.ejmech.2022.115025 | PA-I galactophilic lectin | 1 |
Data from ChEMBL 36 via Core Engine