Compound Detail
CHEMBL2069345
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 | CHEMBL2069345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRLGCIOJJJKSER-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.71
ALogP
6
HBA
2
HBD
66.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| CHO CHEMBL613853 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine--tRNA ligase | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human recombinant full-length Syk using poly-GT as substrate after... | 22877633 |
| CHO | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against CHO cells | 22877633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22877633 | 10.1016/j.bmcl.2012.07.045 | Lysine--tRNA ligase | 1 |
| 22877633 | 10.1016/j.bmcl.2012.07.045 | CHO | 1 |
Data from ChEMBL 36 via Core Engine