Compound Detail
CHEMBL4554609
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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](N)C[C@@H]2N)[C@H](N)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4554609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCZPOIAJZOJQJN-ULSZWSIUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
-5.62
ALogP
13
HBA
9
HBD
242.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal RNA A-site CHEMBL614640 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal RNA A-site | IC50 | = | 110.0 | nM | 6.96 | Binding affinity to 16S rRNA A-site in Escherichia coli S30 extract assessed as ... | 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