Compound Detail
CHEMBL301721
GENTAMICIN C1A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL301721 |
| Name | GENTAMICIN C1A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEGXETMJINRLTH-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
-3.98
ALogP
12
HBA
8
HBD
213.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.23
Kd 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Ribosomal RNA A-site CHEMBL614640 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 59.0 | nM | 7.23 | Inhibition of translation in Escherichia coli S30 extract by coupled transcripti... | 18790644 |
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | Inhibitory activity of the aminoglycoside on Staphylococcus aureus IF-2 binding ... | 12643896 |
| Ribosomal RNA A-site | Kd | = | 1700.0 | nM | 5.77 | Binding affinity of aminoglycoside to 16S ribosomal RNA A-site in Escherichia co... | 11206440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17606689 | 10.1128/aac.00100-07 | Staphylococcus aureus | 6 |
| 17606689 | 10.1128/aac.00100-07 | Staphylococcus | 6 |
| 3543366 | 10.1021/jm00385a015 | ADMET | 4 |
| 18790644 | 10.1016/j.bmc.2008.08.053 | Escherichia coli | 4 |
| 19946275 | 10.1038/nchembio.274 | Nucleic Acid | 4 |
| 18790644 | 10.1016/j.bmc.2008.08.053 | Pseudomonas aeruginosa | 3 |
| 12643896 | 10.1016/s0960-894x(03)00085-4 | Unchecked | 2 |
| 9457241 | 10.1021/jm970372r | Nucleic Acid | 1 |
| 11206440 | 10.1016/s0960-894x(00)00615-6 | Ribosomal RNA A-site | 1 |
| 15808490 | 10.1016/j.bmcl.2005.02.007 | Bacillus subtilis | 1 |
| 15808490 | 10.1016/j.bmcl.2005.02.007 | Nucleic Acid | 1 |
| 18790644 | 10.1016/j.bmc.2008.08.053 | Mus musculus | 1 |
| 18790644 | 10.1016/j.bmc.2008.08.053 | Staphylococcus epidermidis | 1 |
| 18790644 | 10.1016/j.bmc.2008.08.053 | Bacillus subtilis | 1 |
| 20799726 | 10.1021/mp100103e | Phospholipidosis | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
Data from ChEMBL 36 via Core Engine