Compound Detail
CHEMBL365590
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Basic Information
| ChEMBL ID | CHEMBL365590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQZGKKKJIJFFOK-PQMKYFCFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
-3.22
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 2.19
Kd 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type 1 fimbrin D-mannose specific adhesin CHEMBL4837 | Kd | 5.64 | 5.64 | 2300.0 | 1 |
| CD209 antigen CHEMBL1795114 | IC50 | 2.19 | 2.19 | 6400000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type 1 fimbrin D-mannose specific adhesin | Kd | = | 2300.0 | nM | 5.64 | Binding affinity to Escherichia coli FimH assessed as dissociation constant by S... | 35777073 |
| CD209 antigen | IC50 | = | 6400000.0 | nM | 2.19 | Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SI... | 30344001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23795713 | 10.1021/jm400723n | Escherichia coli | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 30344001 | 10.1016/j.bmc.2018.08.036 | CD209 antigen | 1 |
| 34524803 | 10.1021/acs.jmedchem.1c00818 | C-type lectin domain family 4 member M | 1 |
| 35777073 | 10.1021/acs.jmedchem.1c01039 | Type 1 fimbrin D-mannose specific adhesin | 1 |
Data from ChEMBL 36 via Core Engine