Compound Detail
CHEMBL474582
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Basic Information
| ChEMBL ID | CHEMBL474582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBGQQTFVANZDGQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
0.35
ALogP
10
HBA
4
HBD
154.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 5.08 | 5.08 | 8300.0 | 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 |
| Lysine--tRNA ligase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human Syk | 18585046 |
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of human ZAP70 | 18585046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19254842 | 10.1016/j.bmcl.2009.02.049 | Tyrosine-protein kinase SYK | 1 |
| 18585046 | 10.1016/j.bmc.2008.06.017 | Lysine--tRNA ligase | 1 |
| 18585046 | 10.1016/j.bmc.2008.06.017 | Tyrosine-protein kinase ZAP-70 | 1 |
Data from ChEMBL 36 via Core Engine