Compound Detail
CHEMBL4217822
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NC1=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)CC2c2ccc(OCc3ccc(Cl)cc3)cc2O1
Basic Information
| ChEMBL ID | CHEMBL4217822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCFWXQOVPAZLTQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.0
MW (Da)
5.05
ALogP
5
HBA
2
HBD
97.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 8000.0 | nM | 5.1 | 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 | 2 |
Data from ChEMBL 36 via Core Engine