Compound Detail
CHEMBL3138393
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CCC(=O)N1CCCC(C(C)(O)[C@H]2CC[C@H]3[C@@H]4CCC5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@]23C)C1
Basic Information
| ChEMBL ID | CHEMBL3138393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZSGUIXILFQTFT-CNHCNAGXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
574.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 6.0 | 5.96 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 600.0 | nM | 6.22 | In vitro inhibitory concentration against Trypanosoma cruzi epimastigotes | 14561091 |
| Leishmania amazonensis | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory concentration against Leishmania amazonensis intracellular a... | 14561091 |
| Leishmania amazonensis | IC50 | = | 1210.0 | nM | 5.92 | In vitro inhibitory concentration against Leishmania amazonensis promastigotes | 14561091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561091 | 10.1021/jm021114j | ADMET | 3 |
| 14561091 | 10.1021/jm021114j | Leishmania amazonensis | 2 |
| 14561091 | 10.1021/jm021114j | Cycloartenol-C-24-methyltransferase | 1 |
| 14561091 | 10.1021/jm021114j | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine