Compound Detail
CHEMBL605376
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CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC(n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL605376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBZRPKUAIDSYKA-LLMQLYRVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
585.4
MW (Da)
-1.62
ALogP
13
HBA
5
HBD
217.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isoleucine--tRNA ligase, cytoplasmic CHEMBL3235 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isoleucine--tRNA ligase, cytoplasmic | IC50 | = | 14.0 | nM | 7.85 | 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