Compound Detail
CHEMBL292051
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Basic Information
| ChEMBL ID | CHEMBL292051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGHMWKZOLAAOTD-DEOSSOPVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.70
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Chaperone SurA CHEMBL4295570 | IC50 | 4.63 | 4.63 | 23330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3300.0 | nM | 5.48 | Antiinflammatory activity in fMLP/cytochalasin B-stimulated human neutrophils as... | 19110343 |
| Chaperone SurA | IC50 | = | 23330.0 | nM | 4.63 | Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA by fluorescence... | 30301675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19110343 | 10.1016/j.ejmech.2008.11.008 | NON-PROTEIN TARGET | 2 |
| 8289198 | 10.1021/jm00027a027 | Stromelysin-1 | 1 |
| 11844661 | 10.1016/s0960-894x(01)00790-9 | Unchecked | 1 |
| 30301675 | 10.1016/j.bmcl.2018.09.034 | Chaperone SurA | 1 |
| 30301675 | 10.1016/j.bmcl.2018.09.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine