Compound Detail
CHEMBL519131
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Basic Information
| ChEMBL ID | CHEMBL519131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSAQRPDNVTVYQV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
0.99
ALogP
9
HBA
4
HBD
136.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human ZAP70 expressed in Sf9 cells | 18823784 |
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human ZAP70 (Leu325 to Ala619) expressed in Sf9 cells by coupled s... | 19010686 |
| Tyrosine-protein kinase SYK | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human Syk expressed in Sf9 cells | 18823784 |
| Lysine--tRNA ligase | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human Syk (Met343 to Asn635) expressed in Sf9 cells by coupled spe... | 19010686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18823784 | 10.1016/j.bmc.2008.09.015 | Tyrosine-protein kinase SYK | 1 |
| 18823784 | 10.1016/j.bmc.2008.09.015 | Tyrosine-protein kinase ZAP-70 | 1 |
| 19010686 | 10.1016/j.bmc.2008.10.070 | Tyrosine-protein kinase ZAP-70 | 1 |
| 19010686 | 10.1016/j.bmc.2008.10.070 | Lysine--tRNA ligase | 1 |
Data from ChEMBL 36 via Core Engine