Compound Detail
CHEMBL4749241
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Basic Information
| ChEMBL ID | CHEMBL4749241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGDYOSQQFDVMOT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
2.32
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Ki 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 6500.0 | nM | 5.19 | Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity e... | 31767137 |
| Macrophage migration inhibitory factor | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity e... | 31767137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31767137 | 10.1016/j.ejmech.2019.111849 | Macrophage migration inhibitory factor | 3 |
Data from ChEMBL 36 via Core Engine