Compound Detail
CHEMBL4160838
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Basic Information
| ChEMBL ID | CHEMBL4160838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRPPCEHRGYFXHN-UKTHLTGXSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
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 4 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 6.06 | 5.985 | 880.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Pancreatic triacylglycerol lipase CHEMBL1687677 | IC50 | 4.83 | 4.83 | 14890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 880.0 | nM | 6.06 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
| Macrophage migration inhibitory factor | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of human recombinant MIF enolase activity using phenylpyruvate as sub... | 36587420 |
| HT-29 | IC50 | = | 1530.0 | nM | 5.82 | Inhibition of TNF-alpha-induced adhesion of BCECF-labeled human U937 cells to hu... | 28646757 |
| Pancreatic triacylglycerol lipase | IC50 | = | 14890.0 | nM | 4.83 | Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-M... | 33214035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28646757 | 10.1016/j.ejmech.2017.06.018 | HT-29 | 6 |
| 36587420 | 10.1016/j.ejmech.2022.115050 | RAW264.7 | 5 |
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | A549 | 2 |
| 33214035 | 10.1016/j.bmc.2020.115853 | Pancreatic triacylglycerol lipase | 1 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | MCF7 | 1 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine