Compound Detail
CHEMBL5290787
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CCCCNC(=O)CCC(C)[C@H]1CCC2C3C(C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@]2(C[C@@H]1C[C@H]3OC(C)=O)OO[C@@]1(CC[C@@H]3C[C@@H](OC(C)=O)C4C5CC[C@H](C(C)CCC(=O)NCCCC)[C@@]5(C)[C@@H](OC(C)=O)CC4[C@@]3(C)C1)OO2
Basic Information
| ChEMBL ID | CHEMBL5290787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIRPGFLGYXTGRI-UGADPAJASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1123.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9.29 | nM | 8.03 | Antimalarial activity against Plasmodium falciparum D6 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine