Compound Detail
CHEMBL335696
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C=CCO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL335696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIVRGWZZMJHWGO-FHRUUPKGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
774.0
MW (Da)
3.00
ALogP
14
HBA
4
HBD
182.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus pneumoniae CHEMBL347 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus pneumoniae | IC50 | = | 150.0 | nM | 6.82 | Cell free inhibiting activity against erythromycin-susceptible strain Streptococ... | 11708916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708916 | 10.1021/jm0102349 | Staphylococcus aureus | 3 |
| 11708916 | 10.1021/jm0102349 | NON-PROTEIN TARGET | 3 |
| 11708916 | 10.1021/jm0102349 | Streptococcus pneumoniae | 2 |
Data from ChEMBL 36 via Core Engine