Compound Detail
CHEMBL4855635
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
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4855635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWUZSNXCDBPNMM-IECFSIQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
-1.03
ALogP
12
HBA
4
HBD
191.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine--tRNA ligase CHEMBL4295566 | Ki | 7.51 | 7.51 | 30.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine--tRNA ligase | Ki | = | 30.94 | nM | 7.51 | 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