Compound Detail
CHEMBL477165
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Basic Information
| ChEMBL ID | CHEMBL477165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVAHDAYPRWZJPB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
0.74
ALogP
10
HBA
4
HBD
154.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine--tRNA ligase | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of human Syk | 18585046 |
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human ZAP70 | 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