Compound Detail
CHEMBL3798149
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Basic Information
| ChEMBL ID | CHEMBL3798149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDMXBXKUWXFIGH-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.21
ALogP
7
HBA
1
HBD
82.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 6.7 | 6.326 | 200.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 200.0 | nM | 6.7 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 28105287 |
| Macrophage migration inhibitory factor | Ki | = | 550.0 | nM | 6.26 | Inhibition of recombinant human MIF tautomerase activity expressed in Escherichi... | 27156768 |
| Macrophage migration inhibitory factor | Ki | = | 570.0 | nM | 6.24 | Inhibition of Tautomerase Activity of Human MIF: Inhibition of the tautomerase a... | - |
| Macrophage migration inhibitory factor | Ki | = | 570.0 | nM | 6.24 | Inhibition Assay: Data obtained for the Example compounds, obtained using the me... | - |
| Macrophage migration inhibitory factor | Ki | = | 650.0 | nM | 6.19 | Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as s... | 29812929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27156768 | 10.1016/j.bmcl.2016.04.074 | No relevant target | 1 |
| 27156768 | 10.1016/j.bmcl.2016.04.074 | Macrophage migration inhibitory factor | 1 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | Macrophage migration inhibitory factor | 1 |
| 28105287 | 10.1021/acsmedchemlett.6b00451 | No relevant target | 1 |
| 29812929 | 10.1021/acs.jmedchem.8b00589 | Macrophage migration inhibitory factor | 1 |
Data from ChEMBL 36 via Core Engine