Compound Detail
CHEMBL2177628
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CN1CCN(c2c(Nc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(Cl)c3)c(=O)c2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL2177628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVFSRWMGARZIAS-YVNBQAQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
-1.39
ALogP
11
HBA
5
HBD
152.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 31.0 | nM | 7.51 | Displacement of biotinylated-TM PAA from Escherichia coli FimH expressed in Esch... | 23088608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23088608 | 10.1021/jm3010338 | Unchecked | 2 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member C | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 6 member A | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member K | 1 |
| 23088608 | 10.1021/jm3010338 | Pulmonary surfactant-associated protein D | 1 |
| 23088608 | 10.1021/jm3010338 | Macrophage mannose receptor 1 | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member M | 1 |
| 23088608 | 10.1021/jm3010338 | CD209 antigen | 1 |
| 23088608 | 10.1021/jm3010338 | Mannose-binding protein C | 1 |
Data from ChEMBL 36 via Core Engine