Compound Detail
CHEMBL558731
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Basic Information
| ChEMBL ID | CHEMBL558731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBGLVEXGOZXCRT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.56
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 4.82 | 4.6067 | 15000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells | 19592246 |
| Macrophage migration inhibitory factor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of spontaneous secretion/release/recognition of MIF from freshly isol... | 19592246 |
| Macrophage migration inhibitory factor | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of dopachrome tautomerase activity of human recombinant MIF | 19592246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19592246 | 10.1016/j.bmcl.2009.06.052 | Macrophage migration inhibitory factor | 6 |
Data from ChEMBL 36 via Core Engine