Compound Detail
CHEMBL5556815
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NC(=O)c1ccc(-c2ccc(O[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5556815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRJUJQKDTSKIEK-ZRSRNVLSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
0.33
ALogP
7
HBA
5
HBD
142.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.92 | 6.92 | 120.0 | 1 |
| Type 1 fimbrin D-mannose specific adhesin CHEMBL4837 | Kd | 5.13 | 5.13 | 7340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 120.0 | nM | 6.92 | Displacement of fluorescent tracer 3'-chloro-N-(2-(3-(3',6'-dihydroxy-3-oxo-3H-s... | 38367495 |
| Type 1 fimbrin D-mannose specific adhesin | Kd | = | 7340.0 | nM | 5.13 | Displacement of fluorescent tracer 3'-chloro-N-(2-(3-(3',6'-dihydroxy-3-oxo-3H-s... | 38367495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38367495 | 10.1016/j.ejmech.2024.116225 | Unchecked | 1 |
| 38367495 | 10.1016/j.ejmech.2024.116225 | Type 1 fimbrin D-mannose specific adhesin | 1 |
Data from ChEMBL 36 via Core Engine