Compound Detail
CHEMBL4462988
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NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4462988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLEUBZLTFQUFGP-YYGXAQBYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
615.6
MW (Da)
-8.86
ALogP
19
HBA
13
HBD
347.3
PSA (Ų)
0.11
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal RNA A-site CHEMBL614640 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.36 | 43750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal RNA A-site | IC50 | = | 30.0 | nM | 7.52 | Binding affinity to 16S rRNA A-site in Escherichia coli S30 extract assessed as ... | 27509271 |
| Unchecked | IC50 | = | 43750.0 | nM | 4.36 | Inhibition of cytosolic eukaryotic translation in rabbit reticulocyte S30 extrac... | 27509271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Klebsiella pneumoniae | 3 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Pseudomonas aeruginosa | 2 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Haemophilus influenzae | 2 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Escherichia coli | 2 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Unchecked | 2 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Acinetobacter baumannii | 1 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Burkholderia cepacia | 1 |
| 27509271 | 10.1021/acs.jmedchem.6b00793 | Ribosomal RNA A-site | 1 |
Data from ChEMBL 36 via Core Engine