Compound Detail
CHEMBL3590171
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COC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)nn1
Basic Information
| ChEMBL ID | CHEMBL3590171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYJFACADUYAGDP-FCUOMBEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
-3.97
ALogP
14
HBA
6
HBD
214.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 290.0 | nM | 6.54 | Binding affinity to Pseudomonas aeruginosa LecB | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00346A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine