Compound Detail
CHEMBL5407860
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(=O)oc2cc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12
Basic Information
| ChEMBL ID | CHEMBL5407860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKSNEURHIUMDFR-CHUNWDLHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
-0.01
ALogP
8
HBA
4
HBD
120.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA-I galactophilic lectin CHEMBL3351196 | Kd | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PA-I galactophilic lectin | Kd | = | 5400.0 | nM | 5.27 | 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