Compound Detail
CHEMBL4745151
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Basic Information
| ChEMBL ID | CHEMBL4745151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMRZIIIHHRUMTI-UHFFFAOYSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
2.52
ALogP
5
HBA
3
HBD
95.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.44
Ki 2 meas. best 5.48
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 5.48 | 5.48 | 3300.0 | 2 |
| Macrophage migration inhibitory factor CHEMBL2085 | Kd | 5.44 | 5.4 | 3630.0 | 2 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 3300.0 | nM | 5.48 | Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherich... | 32940040 |
| Macrophage migration inhibitory factor | Ki | = | 3300.0 | nM | 5.48 | Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity e... | 31767137 |
| Macrophage migration inhibitory factor | Kd | = | 3630.0 | nM | 5.44 | Binding affinity to RED-Tris-NTA-labelled C-terminal His-tagged recombinant huma... | 31767137 |
| Macrophage migration inhibitory factor | Kd | = | 4400.0 | nM | 5.36 | Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxyli... | 32940040 |
| Macrophage migration inhibitory factor | IC50 | = | 4800.0 | nM | 5.32 | 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 | 8 |
| 32940040 | 10.1021/acs.jmedchem.0c01160 | Macrophage migration inhibitory factor | 2 |
| 31767137 | 10.1016/j.ejmech.2019.111849 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine