Compound Detail
CHEMBL104813
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Basic Information
| ChEMBL ID | CHEMBL104813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCIIDEHWDIRWHN-PXNMLYILSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.38
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
EC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.56 | 6.56 | 273.0 | 3 |
| Low affinity immunoglobulin epsilon Fc receptor CHEMBL2940 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL4364 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 273.0 | nM | 6.56 | Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast... | 12941345 |
| Tyrosine-protein kinase SYK | IC50 | = | 273.0 | nM | 6.56 | Inhibition of recombinant Syk | 19254842 |
| Tyrosine-protein kinase SYK | IC50 | = | 273.0 | nM | 6.56 | Inhibition of SYK | 22257213 |
| Low affinity immunoglobulin epsilon Fc receptor | EC50 | = | 3500.0 | nM | 5.46 | Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation a... | 12941345 |
| Tyrosine-protein kinase SYK | EC50 | = | 3500.0 | nM | 5.46 | Inhibition of SYK in rat RBL2H3 cells assessed as reduction in DNP-BSA-stimulate... | 22257213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22257213 | 10.1021/jm201271b | Tyrosine-protein kinase SYK | 2 |
| 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 |
| 22257213 | 10.1021/jm201271b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine