Compound Detail
CHEMBL471819
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Basic Information
| ChEMBL ID | CHEMBL471819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYGKSLDYPFTJBU-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
3.65
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.09
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 7.09 | 7.09 | 82.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | Ki | 5.81 | 5.81 | 1551.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.61 | 5.61 | 2452.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 5.53 | 5.53 | 2984.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | Ki | = | 82.0 | nM | 7.09 | Inhibition of SYK | 18938080 |
| Tyrosine-protein kinase SYK | IC50 | = | 140.0 | nM | 6.85 | Inhibition of SYK-mediated FCepsilonRI signaling activity by mast cell degranula... | 18938080 |
| Tyrosine-protein kinase ZAP-70 | Ki | = | 1551.0 | nM | 5.81 | Inhibition of ZAP70 | 18938080 |
| Cyclin-dependent kinase 2 | Ki | = | 2452.0 | nM | 5.61 | Inhibition of CDK2 | 18938080 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 2984.0 | nM | 5.53 | 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 |
Data from ChEMBL 36 via Core Engine