Compound Detail
CHEMBL451450
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Basic Information
| ChEMBL ID | CHEMBL451450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCPTVEVIYXDFQI-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.68
ALogP
6
HBA
1
HBD
59.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.64
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | Ki | 5.94 | 5.94 | 1140.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | Ki | = | 23.0 | nM | 7.64 | Inhibition of SYK | 18938080 |
| Tyrosine-protein kinase SYK | IC50 | = | 220.0 | nM | 6.66 | Inhibition of SYK-mediated FCepsilonRI signaling activity by mast cell degranula... | 18938080 |
| Tyrosine-protein kinase ZAP-70 | Ki | = | 1140.0 | nM | 5.94 | Inhibition of ZAP70 | 18938080 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 3700.0 | nM | 5.43 | 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