Compound Detail
CHEMBL3409220
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Basic Information
| ChEMBL ID | CHEMBL3409220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCQBHPIKVHRODR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
1.74
ALogP
4
HBA
2
HBD
52.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.4 | 4.97 | 4000.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.01 | 4.84 | 9870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of macrophage migration inhibitory factor tautomerase activity in hum... | 25743213 |
| NON-PROTEIN TARGET | IC50 | = | 9870.0 | nM | 5.01 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 27155468 |
| NON-PROTEIN TARGET | IC50 | = | 21130.0 | nM | 4.67 | Cytotoxicity against human MRC5 cells assessed as inhibition of cell proliferati... | 27155468 |
| Macrophage migration inhibitory factor | IC50 | = | 29000.0 | nM | 4.54 | 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 |
| 27155468 | 10.1016/j.ejmech.2016.04.047 | NON-PROTEIN TARGET | 2 |
| 27155468 | 10.1016/j.ejmech.2016.04.047 | Unchecked | 1 |
| 27155468 | 10.1016/j.ejmech.2016.04.047 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine