Compound Detail
CHEMBL5282339
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C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCCC4C(=O)O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
Basic Information
| ChEMBL ID | CHEMBL5282339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNTGRHJTKAHRDX-BKCKSIODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
913.1
MW (Da)
8.64
ALogP
15
HBA
0
HBD
162.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 3.1 | nM | 8.51 | Antimalarial activity against Plasmodium falciparum K1 | 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