Compound Detail
CHEMBL3798703
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Basic Information
| ChEMBL ID | CHEMBL3798703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWHRJNBVHWTIRA-SNVBAGLBSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
1.06
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.62
Kd 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Kd | 4.64 | 4.63 | 23100.0 | 2 |
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 4.62 | 4.5667 | 24000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Kd | = | 23100.0 | nM | 4.64 | Inhibition of recombinant human MIF tautomerase activity assessed as decrease in... | 29259749 |
| Macrophage migration inhibitory factor | Kd | = | 24000.0 | nM | 4.62 | Binding affinity to human MIF by fluorescence polarization assay | 28105287 |
| Macrophage migration inhibitory factor | Ki | = | 24000.0 | nM | 4.62 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 27156768 |
| Macrophage migration inhibitory factor | Ki | = | 27300.0 | nM | 4.56 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 28105287 |
| Macrophage migration inhibitory factor | Ki | = | 30100.0 | nM | 4.52 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 29259749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105287 | 10.1021/acsmedchemlett.6b00451 | Macrophage migration inhibitory factor | 2 |
| 29259749 | 10.1021/acsmedchemlett.7b00384 | Macrophage migration inhibitory factor | 2 |
| 27156768 | 10.1016/j.bmcl.2016.04.074 | Macrophage migration inhibitory factor | 1 |
| 29259749 | 10.1021/acsmedchemlett.7b00384 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine