Compound Detail
CHEMBL5288501
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CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc(c1C(C)(C)C)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)C2
Basic Information
| ChEMBL ID | CHEMBL5288501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLOVVZHXVACBRZ-KUAUPONBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2150.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA-I galactophilic lectin CHEMBL3351196 | Kd | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PA-I galactophilic lectin | Kd | = | 180.0 | nM | 6.75 | Binding affinity to Pseudomonas aeruginosa PAO1 LecA assessed as dissociation co... | 26804741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26804741 | 10.1021/acs.jmedchem.5b01698 | PA-I galactophilic lectin | 1 |
Data from ChEMBL 36 via Core Engine