Compound Detail
CHEMBL5422812
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Basic Information
| ChEMBL ID | CHEMBL5422812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDALHVANDWLREZ-GZTJUZNOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.73
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.67 | 5.51 | 2120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 2120.0 | nM | 5.67 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
| Macrophage migration inhibitory factor | IC50 | = | 4430.0 | nM | 5.35 | Inhibition of human recombinant MIF enolase activity using phenylpyruvate as sub... | 36587420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
Data from ChEMBL 36 via Core Engine