Compound Detail
CHEMBL4168066
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Basic Information
| ChEMBL ID | CHEMBL4168066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTRGPBISOZJVME-JLHYYAGUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.21
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 4.39 | 4.39 | 40700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 40700.0 | nM | 4.39 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28646757 | 10.1016/j.ejmech.2017.06.018 | HT-29 | 2 |
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
Data from ChEMBL 36 via Core Engine