Compound Detail
CHEMBL605592
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C#Cc1nc(N)c2ncn(C3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)[C@@H](C)CC)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL605592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSGGLIACHXJUIJ-HFCNYBATSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
-2.24
ALogP
13
HBA
5
HBD
217.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isoleucine--tRNA ligase, cytoplasmic CHEMBL3235 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isoleucine--tRNA ligase, cytoplasmic | IC50 | = | 39.0 | nM | 7.41 | Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was deter... | 12643918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643918 | 10.1016/s0960-894x(03)00020-9 | Isoleucine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine