Compound Detail
CHEMBL4204904
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Basic Information
| ChEMBL ID | CHEMBL4204904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFCLZZNLMPSBNW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
5.01
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 4.87 | 4.8267 | 13500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) u... | 29428527 |
| Macrophage migration inhibitory factor | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) u... | 29428527 |
| Macrophage migration inhibitory factor | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) u... | 29428527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29428527 | 10.1016/j.bmc.2017.12.032 | Macrophage migration inhibitory factor | 10 |
Data from ChEMBL 36 via Core Engine