Compound Detail
CHEMBL3957289
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Basic Information
| ChEMBL ID | CHEMBL3957289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUBLWMMOACBZJA-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
3.05
ALogP
9
HBA
1
HBD
94.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.13
Kd 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 7.13 | 6.975 | 74.0 | 4 |
| Macrophage migration inhibitory factor CHEMBL2085 | Kd | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 74.0 | nM | 7.13 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 28105287 |
| Macrophage migration inhibitory factor | Ki | = | 74.0 | nM | 7.13 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 29259749 |
| Macrophage migration inhibitory factor | Kd | = | 150.0 | nM | 6.82 | Inhibition of recombinant human MIF tautomerase activity assessed as decrease in... | 29259749 |
| Macrophage migration inhibitory factor | Ki | = | 150.0 | nM | 6.82 | Inhibition of Tautomerase Activity of Human MIF: Inhibition of the tautomerase a... | - |
| Macrophage migration inhibitory factor | Ki | = | 150.0 | nM | 6.82 | Inhibition Assay: Data obtained for the Example compounds, obtained using the me... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259749 | 10.1021/acsmedchemlett.7b00384 | Macrophage migration inhibitory factor | 2 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | Macrophage migration inhibitory factor | 1 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | No relevant target | 1 |
| 29259749 | 10.1021/acsmedchemlett.7b00384 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine