Compound Detail
CHEMBL435997
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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)(OC/C=C/c2ccc3nccnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL435997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXSKLSLDMGKOSE-KFIDPOFCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
766.9
MW (Da)
4.50
ALogP
13
HBA
2
HBD
175.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus pneumoniae CHEMBL347 | IC50 | 7.1 | 5.75 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus pneumoniae | IC50 | = | 80.0 | nM | 7.1 | Cell free inhibiting activity against erythromycin-susceptible strain Streptococ... | 11708916 |
| Streptococcus pneumoniae | IC50 | = | 40000.0 | nM | 4.4 | Cell free inhibiting activity against erythromycin-susceptible strain Streptococ... | 11708916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708916 | 10.1021/jm0102349 | Streptococcus pneumoniae | 5 |
| 11708916 | 10.1021/jm0102349 | NON-PROTEIN TARGET | 5 |
| 11708916 | 10.1021/jm0102349 | Staphylococcus aureus | 4 |
| 11708916 | 10.1021/jm0102349 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine