Compound Detail
CHEMBL3989904
CETHROMYCIN 🧪 Phase III
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🧪 Phase III
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL3989904 |
| Name | CETHROMYCIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | PENDGIOBPJLVBT-AMXFZXBBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications
1
Mechanisms
Molecular Properties
766.0
MW (Da)
5.11
ALogP
12
HBA
2
HBD
162.8
PSA (Ų)
0.27
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial 70S ribosome inhibitor | INHIBITOR | Bacterial 70S ribosome | ✓ | ✓ |
Indications
Pneumonia
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus pneumoniae CHEMBL347 | IC50 | 7.4 | 5.975 | 40.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus pneumoniae | IC50 | = | 40.0 | nM | 7.4 | Cell free inhibiting activity against erythromycin-susceptible strain Streptococ... | 11708916 |
| Cytochrome P450 3A4 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of CYP3A4 (unknown origin) | 30852383 |
| Streptococcus pneumoniae | IC50 | = | 28000.0 | nM | 4.55 | Cell free inhibiting activity against erythromycin-susceptible strain Streptococ... | 11708916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18086834 | 10.1128/aac.01266-07 | Escherichia coli | 6 |
| 11708916 | 10.1021/jm0102349 | Streptococcus pneumoniae | 5 |
| 24900314 | 10.1021/ml100253p | Staphylococcus aureus | 5 |
| 11708916 | 10.1021/jm0102349 | NON-PROTEIN TARGET | 5 |
| 11708916 | 10.1021/jm0102349 | Staphylococcus aureus | 4 |
| 24900314 | 10.1021/ml100253p | Streptococcus pyogenes | 4 |
| 21055953 | 10.1016/j.bmc.2010.10.024 | Streptococcus pyogenes | 4 |
| 21055953 | 10.1016/j.bmc.2010.10.024 | Staphylococcus aureus | 4 |
| 20684614 | 10.1021/jm100711p | Streptococcus pyogenes | 4 |
| 20684614 | 10.1021/jm100711p | Staphylococcus aureus | 4 |
| 26860929 | 10.1016/j.bmc.2016.01.055 | Staphylococcus aureus | 4 |
| 26860929 | 10.1016/j.bmc.2016.01.055 | Streptococcus pyogenes | 4 |
| 15863336 | 10.1016/j.bmcl.2005.03.011 | Streptococcus pneumoniae | 3 |
| 10737737 | 10.1021/jm990618n | Streptococcus pneumoniae | 3 |
| 25313326 | 10.1021/ml500279k | Staphylococcus aureus | 3 |
| 20684614 | 10.1021/jm100711p | Streptococcus pneumoniae | 3 |
| 10737737 | 10.1021/jm990618n | Staphylococcus aureus | 3 |
| 21055953 | 10.1016/j.bmc.2010.10.024 | Streptococcus pneumoniae | 3 |
| 15203167 | 10.1016/j.bmcl.2004.04.077 | Streptococcus pneumoniae | 3 |
| 22738632 | 10.1016/j.bmcl.2012.05.110 | Staphylococcus aureus | 3 |
Data from ChEMBL 36 via Core Engine