Compound Detail
CHEMBL3764493
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 | CHEMBL3764493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXWCVHWRPIREDC-DNTJNYDQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.7
MW (Da)
5.39
ALogP
6
HBA
2
HBD
66.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4540.0 | 1 |
| Leucine--tRNA ligase, cytoplasmic CHEMBL3258 | IC50 | 4.56 | 4.56 | 27600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4540.0 | nM | 5.34 | Inhibition of Mycobacterium tuberculosis leucyl-tRNA synthetase assessed as redu... | 26822568 |
| Leucine--tRNA ligase, cytoplasmic | IC50 | = | 27600.0 | nM | 4.56 | Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leuc... | 26822568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26822568 | 10.1016/j.bmc.2016.01.028 | Mycobacterium tuberculosis | 3 |
| 26822568 | 10.1016/j.bmc.2016.01.028 | Leucine--tRNA ligase, cytoplasmic | 1 |
| 26822568 | 10.1016/j.bmc.2016.01.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine