Compound Detail
CHEMBL5430875
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Basic Information
| ChEMBL ID | CHEMBL5430875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUOYUTTYTCAEPF-OQPBUACISA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
-0.83
ALogP
9
HBA
4
HBD
170.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Kd 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Threonine--tRNA ligase 1, cytoplasmic CHEMBL3391 | Kd | 6.94 | 6.94 | 115.0 | 1 |
| threonine--tRNA ligase CHEMBL5465377 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Threonine--tRNA ligase 1, cytoplasmic | Kd | = | 115.0 | nM | 6.94 | Inhibition of human cytosolic ThrRS assessed as dissociation constant by isother... | 38229753 |
| threonine--tRNA ligase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of 6xHis-tag recombinant Plasmodium falciparum threonyl tRNA syntheta... | 38229753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38229753 | 10.1021/acsmedchemlett.3c00403 | threonine--tRNA ligase | 1 |
| 38229753 | 10.1021/acsmedchemlett.3c00403 | Threonine--tRNA ligase 1, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine