Compound Detail
CHEMBL75471
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)/C=C/c1ccc(OCCCO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL75471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBQUOJRJWNRNPJ-WHKRJSJQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.57
ALogP
9
HBA
1
HBD
101.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.47 | 8.395 | 3.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.38 | nM | 8.47 | In vitro antimalarial activity against Plasmodium falciparum in 20 mM FeCl3 | 7608896 |
| Plasmodium falciparum | IC50 | = | 4.78 | nM | 8.32 | In vitro antimalarial activity against Plasmodium falciparum | 7608896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608896 | 10.1021/jm00013a007 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine