Compound Detail
CHEMBL3358626
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C[C@H]1O[C@@H](OCCOCCOCCn2cc(COc3c4cc(C(C)(C)C)cc3Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)C4)nn2)[C@H](O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3358626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEVDJWDAUWHEOB-NXCYFIDMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2134.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| 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 | 176.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PA-I galactophilic lectin | Kd | = | 176.0 | nM | 6.75 | Binding affinity to Pseudomonas aeruginosa LecA by ITC method | 25419855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25419855 | 10.1021/jm500038p | Pseudomonas aeruginosa | 15 |
| 25419855 | 10.1021/jm500038p | PA-I galactophilic lectin | 1 |
Data from ChEMBL 36 via Core Engine