Compound Detail
CHEMBL514365
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL514365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUMDSUVAQUFGCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
1.74
ALogP
11
HBA
3
HBD
155.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 4.1 | 4.1 | 79100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human ZAP70 | 18585046 |
| Lysine--tRNA ligase | IC50 | = | 79100.0 | nM | 4.1 | Inhibition of human Syk | 18585046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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