Compound Detail
CHEMBL3409221
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Basic Information
| ChEMBL ID | CHEMBL3409221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LETCFWAXTUHGOE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
3.35
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.15 | 4.775 | 7100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of macrophage migration inhibitory factor tautomerase activity in hum... | 25743213 |
| Macrophage migration inhibitory factor | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human recombinant macrophage migration inhibitory factor tautomera... | 25743213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25743213 | 10.1016/j.ejmech.2015.02.012 | Macrophage migration inhibitory factor | 2 |
Data from ChEMBL 36 via Core Engine