Compound Detail
CHEMBL453217
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Basic Information
| ChEMBL ID | CHEMBL453217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUVDZGOUQXJDQC-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.25
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.25 | 6.53 | 56.0 | 2 |
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 5.69 | 5.69 | 2030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 56.0 | nM | 7.25 | Inhibition of recombinant Syk | 19254842 |
| Tyrosine-protein kinase SYK | Ki | = | 56.0 | nM | 7.25 | Inhibition of SYK | 18938080 |
| Cyclin-dependent kinase 2 | Ki | = | 100.0 | nM | 7.0 | Inhibition of CDK2 | 18938080 |
| Tyrosine-protein kinase ZAP-70 | Ki | = | 1030.0 | nM | 5.99 | Inhibition of ZAP70 | 18938080 |
| Tyrosine-protein kinase SYK | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of SYK-mediated FCepsilonRI signaling activity by mast cell degranula... | 18938080 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 2030.0 | nM | 5.69 | Inhibition of SRC | 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 |
| 18938080 | 10.1016/j.bmcl.2008.09.106 | Liver microsomes | 1 |
| 19254842 | 10.1016/j.bmcl.2009.02.049 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine