Compound Detail
CHEMBL473229
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Basic Information
| ChEMBL ID | CHEMBL473229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEGXADGTBNRSGV-CYBMUJFWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.38
ALogP
7
HBA
3
HBD
100.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Ki 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.05 | 6.715 | 9.0 | 2 |
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant Syk | 19254842 |
| Tyrosine-protein kinase SYK | Ki | = | 210.0 | nM | 6.68 | Inhibition of SYK | 18938080 |
| Tyrosine-protein kinase ZAP-70 | Ki | = | 1500.0 | nM | 5.82 | Inhibition of ZAP70 | 18938080 |
| Tyrosine-protein kinase SYK | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of SYK-mediated FCepsilonRI signaling activity by mast cell degranula... | 18938080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18938080 | 10.1016/j.bmcl.2008.09.106 | Tyrosine-protein kinase SYK | 2 |
| 18938080 | 10.1016/j.bmcl.2008.09.106 | Tyrosine-protein kinase ZAP-70 | 1 |
| 18938080 | 10.1016/j.bmcl.2008.09.106 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18938080 | 10.1016/j.bmcl.2008.09.106 | Unchecked | 1 |
| 18938080 | 10.1016/j.bmcl.2008.09.106 | Cyclin-dependent kinase 2 | 1 |
| 19254842 | 10.1016/j.bmcl.2009.02.049 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine