Compound Detail
CHEMBL4867227
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
CCCCCCCCc1cn(CCC[C@@H]2CO[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](O)[C@H]2O)nn1
Basic Information
| ChEMBL ID | CHEMBL4867227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJHVCACMAXYEPW-MENZVKOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
561.8
MW (Da)
1.45
ALogP
11
HBA
4
HBD
178.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine--tRNA ligase CHEMBL4295566 | Ki | 7.28 | 7.28 | 52.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine--tRNA ligase | Ki | = | 52.36 | nM | 7.28 | Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-r... | 33248851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33248851 | 10.1016/j.ejmech.2020.113021 | Leucine--tRNA ligase | 1 |
| 33248851 | 10.1016/j.ejmech.2020.113021 | Mycobacterium tuberculosis | 1 |
| 33248851 | 10.1016/j.ejmech.2020.113021 | Escherichia coli | 1 |
| 33248851 | 10.1016/j.ejmech.2020.113021 | Staphylococcus aureus | 1 |
| 33248851 | 10.1016/j.ejmech.2020.113021 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine