Compound Detail
CHEMBL1852052
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O=C(O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL1852052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRWYYZUQOKZFOB-GJGATLCTSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
410.8
MW (Da)
0.88
ALogP
7
HBA
5
HBD
136.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 97000.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.7 | nM | 8.17 | 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 K | 2 |
| 23088608 | 10.1021/jm3010338 | Macrophage mannose receptor 1 | 2 |
| 23088608 | 10.1021/jm3010338 | Mus musculus | 1 |
| 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 | Pulmonary surfactant-associated protein D | 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