Compound Detail
CHEMBL1254452
GENTAMICIN C2 Enter ChEMBL ID:
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CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL1254452 |
| Name | GENTAMICIN C2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUFIWSHGXVLULG-IDLVJFIQSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
-3.59
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 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2364041 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Helicobacter pylori CHEMBL612600 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.72 | 4.965 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 28.0 | nM | 7.55 | Inhibition of prokaryotic circular pBESTluc plasmid DNA from Escherichia coli S3... | 37312846 |
| Helicobacter pylori | IC50 | = | 260.0 | nM | 6.58 | Antibacterial activity against Helicobacter pylori 26695 ATCC 700392 measured af... | 30891141 |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Antibacterial activity against Campylobacter jejuni ATCC 33560 AS-83-79 measured... | 30891141 |
| Unchecked | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of eukaryotic luciferase T7 plasmid DNA (unknown origin) assessed as ... | 37312846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19946275 | 10.1038/nchembio.274 | Nucleic Acid | 4 |
| 37312846 | 10.1021/acsmedchemlett.3c00089 | Unchecked | 4 |
| 32707373 | 10.1016/j.ejmech.2020.112497 | Escherichia coli | 2 |
| 30891141 | 10.1021/acsmedchemlett.8b00649 | Unchecked | 1 |
| 30891141 | 10.1021/acsmedchemlett.8b00649 | Helicobacter pylori | 1 |
| 32707373 | 10.1016/j.ejmech.2020.112497 | Staphylococcus aureus | 1 |
| 37312846 | 10.1021/acsmedchemlett.3c00089 | Escherichia coli | 1 |
| 37312846 | 10.1021/acsmedchemlett.3c00089 | Bacillus subtilis | 1 |
| 37312846 | 10.1021/acsmedchemlett.3c00089 | DNA | 1 |
Data from ChEMBL 36 via Core Engine