Compound Detail
CHEMBL6067678
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C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O.C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[Na+]
Basic Information
| ChEMBL ID | CHEMBL6067678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFHDUMMQBQTVTR-OXEBIIQQSA-M |
| Parent Compound | CHEMBL6071108 |
| Active Moiety | CHEMBL6071108 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1316.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania aethiopica CHEMBL612651 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania aethiopica | IC50 | = | 35.0 | nM | 7.46 | Antileishmanial activity against promastigote stage of Leishmania aethiopica ass... | 28087274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28087274 | 10.1016/j.bmcl.2017.01.003 | Leishmania aethiopica | 1 |
Data from ChEMBL 36 via Core Engine