Compound Detail
CHEMBL104691
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Basic Information
| ChEMBL ID | CHEMBL104691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZOYWCSAGNFODI-IDUWFGFVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.04
ALogP
6
HBA
3
HBD
126.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.18
EC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.18 | 6.18 | 658.0 | 2 |
| Low affinity immunoglobulin epsilon Fc receptor CHEMBL2940 | EC50 | 5.71 | 5.71 | 1940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 658.0 | nM | 6.18 | Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast... | 12941345 |
| Tyrosine-protein kinase SYK | IC50 | = | 658.0 | nM | 6.18 | Inhibition of recombinant Syk | 19254842 |
| Low affinity immunoglobulin epsilon Fc receptor | EC50 | = | 1940.0 | nM | 5.71 | Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation a... | 12941345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941345 | 10.1016/s0960-894x(03)00658-9 | Tyrosine-protein kinase SYK | 1 |
| 12941345 | 10.1016/s0960-894x(03)00658-9 | Low affinity immunoglobulin epsilon Fc receptor | 1 |
| 12941345 | 10.1016/s0960-894x(03)00658-9 | No relevant target | 1 |
| 19254842 | 10.1016/j.bmcl.2009.02.049 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine