Compound Detail
CHEMBL507180
GEOMYCIN C Enter ChEMBL ID:
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COC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1cc(C)cc(OC(=O)c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL507180 |
| Name | GEOMYCIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNHQZFDQZNRWBS-UUWRZZSWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
660.6
MW (Da)
4.05
ALogP
14
HBA
2
HBD
190.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
| Streptococcus pneumoniae CHEMBL347 | IC50 | 4.44 | 4.44 | 36200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 12900.0 | nM | 4.89 | Antimicrobial activity against Escherichia coli CGMCC 1.2340 | 18720971 |
| Staphylococcus aureus | IC50 | = | 17300.0 | nM | 4.76 | Antimicrobial activity against Staphylococcus aureus ATCC 6538 | 18720971 |
| Streptococcus pneumoniae | IC50 | = | 36200.0 | nM | 4.44 | Antimicrobial activity against Streptococcus pneumoniae CGMCC 1.1692 | 18720971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18720971 | 10.1021/np8003003 | Staphylococcus aureus | 2 |
| 18720971 | 10.1021/np8003003 | Streptococcus pneumoniae | 2 |
| 18720971 | 10.1021/np8003003 | Escherichia coli | 2 |
Data from ChEMBL 36 via Core Engine