Compound Detail
CHEMBL1807864
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Basic Information
| ChEMBL ID | CHEMBL1807864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVARFNHCTDWHGS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.8
MW (Da)
3.71
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Ki 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 5.27 | 5.27 | 5370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human recombinant MIF tautomerase activity using 4-hydroxyphenylpy... | 21719283 |
| Macrophage migration inhibitory factor | Ki | = | 5370.0 | nM | 5.27 | Covalent inhibition of recombinant human MIF tautomerase activity expressed in E... | 27156768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21719283 | 10.1016/j.bmcl.2011.05.127 | Macrophage migration inhibitory factor | 1 |
| 27156768 | 10.1016/j.bmcl.2016.04.074 | Macrophage migration inhibitory factor | 1 |
Data from ChEMBL 36 via Core Engine