Compound Detail
CHEMBL5291143
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C[C@H]1[C@H](OC(=O)CCC(=O)OCCOC(=O)CC(=O)OCCOC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL5291143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLFORKMGCXHDSM-NOILODGESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
925.0
MW (Da)
4.61
ALogP
20
HBA
0
HBD
231.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytomegalovirus CHEMBL613134 | EC50 | 9.24 | 9.24 | 0.6 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytomegalovirus | EC50 | = | 0.57 | nM | 9.24 | Antiviral activity against HCMV | 33508479 |
| Plasmodium falciparum | EC50 | = | 1.4 | nM | 8.85 | Antimalarial activity against Plasmodium falciparum 3D7 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Cytomegalovirus | 1 |
Data from ChEMBL 36 via Core Engine