Compound Detail
CHEMBL250414
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Basic Information
| ChEMBL ID | CHEMBL250414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWFKSHWAQPOKQP-YRNVUSSQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.81 | 5.435 | 1540.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.02 | 4.02 | 95450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
| Macrophage migration inhibitory factor | IC50 | = | 8720.0 | nM | 5.06 | Inhibition of human recombinant MIF enolase activity using phenylpyruvate as sub... | 36587420 |
| No relevant target | IC50 | = | 95450.0 | nM | 4.02 | Antioxidant activity assessed as nitric oxide free radical scavenging activity b... | 23234407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36587420 | 10.1016/j.ejmech.2022.115050 | RAW264.7 | 5 |
| 23234407 | 10.1021/np3003673 | RAW264.7 | 4 |
| 23832254 | 10.1016/j.ejmech.2013.06.024 | Unchecked | 3 |
| 23832254 | 10.1016/j.ejmech.2013.06.024 | Mycolicibacterium smegmatis | 3 |
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Radical scavenging activity | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Brain | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | NON-PROTEIN TARGET | 1 |
| 18610999 | 10.1021/jm701501x | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18610999 | 10.1021/jm701501x | Vascular endothelial growth factor receptor 2 | 1 |
| 18610999 | 10.1021/jm701501x | Mast/stem cell growth factor receptor Kit | 1 |
| 18610999 | 10.1021/jm701501x | Epidermal growth factor receptor | 1 |
| 18610999 | 10.1021/jm701501x | Fibroblast growth factor receptor 1 | 1 |
| 18610999 | 10.1021/jm701501x | Fibroblast growth factor receptor 2 | 1 |
| 18610999 | 10.1021/jm701501x | Hepatocyte growth factor receptor | 1 |
| 23234407 | 10.1021/np3003673 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine