Compound Detail
CHEMBL3918231
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Basic Information
| ChEMBL ID | CHEMBL3918231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFRAAOTVQWTVPP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
5.14
ALogP
8
HBA
1
HBD
91.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 7.62 | 7.2667 | 24.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 24.0 | nM | 7.62 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 28105287 |
| Macrophage migration inhibitory factor | Ki | = | 82.0 | nM | 7.09 | Inhibition of Tautomerase Activity of Human MIF: Inhibition of the tautomerase a... | - |
| Macrophage migration inhibitory factor | Ki | = | 82.0 | nM | 7.09 | Inhibition Assay: Data obtained for the Example compounds, obtained using the me... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105287 | 10.1021/acsmedchemlett.6b00451 | No relevant target | 1 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | Macrophage migration inhibitory factor | 1 |
Data from ChEMBL 36 via Core Engine