Compound Detail
CHEMBL4066833
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 | CHEMBL4066833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWCQHIWYAHBONZ-OGFXRTJISA-N |
| Parent Compound | CHEMBL4116004 |
| Active Moiety | CHEMBL4116004 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
299.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.4
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine--tRNA ligase CHEMBL4105844 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Leucine--tRNA ligase, cytoplasmic CHEMBL3258 | EC50 | 4.4 | 4.4 | 39500.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.37 | 4.37 | 43200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine--tRNA ligase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expr... | 28953378 |
| Leucine--tRNA ligase, cytoplasmic | EC50 | = | 39500.0 | nM | 4.4 | Inhibition of cytoplasmic LeuRS in human HepG2 cells assessed as reduction in pr... | 28953378 |
| HepG2 | EC50 | = | 43200.0 | nM | 4.37 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... | 28953378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28953378 | 10.1021/acs.jmedchem.7b00631 | Leucine--tRNA ligase, cytoplasmic | 2 |
| 28953378 | 10.1021/acs.jmedchem.7b00631 | Leucine--tRNA ligase | 1 |
| 28953378 | 10.1021/acs.jmedchem.7b00631 | Mycobacterium tuberculosis | 1 |
| 28953378 | 10.1021/acs.jmedchem.7b00631 | Leucine--tRNA ligase, mitochondrial | 1 |
| 28953378 | 10.1021/acs.jmedchem.7b00631 | HepG2 | 1 |
| 28953378 | 10.1021/acs.jmedchem.7b00631 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine