Compound Detail
CHEMBL605012
BUTIROSIN B Enter ChEMBL ID:
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NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL605012 |
| Name | BUTIROSIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEQLFNPSYWZPOW-QDHZCZDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
-7.79
ALogP
16
HBA
12
HBD
311.7
PSA (Ų)
0.12
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal RNA A-site CHEMBL614640 | Kd | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal RNA A-site | Kd | = | 27000.0 | nM | 4.57 | Binding affinity of aminoglycoside to 16S ribosomal RNA A-site in Escherichia co... | 11206440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206440 | 10.1016/s0960-894x(00)00615-6 | Ribosomal RNA A-site | 1 |
Data from ChEMBL 36 via Core Engine