Compound Detail
CHEMBL358644
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Basic Information
| ChEMBL ID | CHEMBL358644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRYYSXMCHMIEIJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
1.13
ALogP
4
HBA
2
HBD
76.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.12
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 5.12 | 5.12 | 7680.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 4.28 | 4.28 | 52900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | Ki | = | 550.0 | nM | 6.26 | Inhibitory activity against tautomerase macrophage migration inhibitory factor (... | 11170644 |
| Sphingosine 1-phosphate receptor 4 | EC50 | = | 7680.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 52900.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170644 | 10.1021/jm000386o | Macrophage migration inhibitory factor | 1 |
Data from ChEMBL 36 via Core Engine