Compound Detail
CHEMBL4544063
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C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@H](OC(=O)COc1ccc2c(c1F)B(O)OC2)C[C@@](C)(CNC1CC1)[C@@H](O)[C@@H]3C
Basic Information
| ChEMBL ID | CHEMBL4544063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQEIXNYYSNPOBT-RZQMUPGISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wolbachia CHEMBL4630676 | EC50 | 7.36 | 7.15 | 44.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wolbachia | EC50 | = | 44.0 | nM | 7.36 | Antimicrobial activity against Wolbachia wMel infected in Drosophila melanogaste... | 30730745 |
| Wolbachia | EC50 | = | 115.0 | nM | 6.94 | Antimicrobial activity against Wolbachia pipientis infected in Asian tiger mosqu... | 30730745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30730745 | 10.1021/acs.jmedchem.8b01854 | Wolbachia | 2 |
Data from ChEMBL 36 via Core Engine