Compound Detail
CHEMBL187347
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Basic Information
| ChEMBL ID | CHEMBL187347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVQJELKILULDFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.76
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein S100-A4 CHEMBL2362976 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein S100-A4 | EC50 | = | 2200.0 | nM | 5.66 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15950468 | 10.1016/j.bmcl.2005.04.075 | Staphylococcus aureus | 1 |
| 15950468 | 10.1016/j.bmcl.2005.04.075 | Enterococcus faecalis | 1 |
| 15950468 | 10.1016/j.bmcl.2005.04.075 | Klebsiella pneumoniae | 1 |
| 15950468 | 10.1016/j.bmcl.2005.04.075 | Escherichia coli | 1 |
| 15950468 | 10.1016/j.bmcl.2005.04.075 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine