Compound Detail
CHEMBL450692
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
C[C@H]1[C@@H](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 | CHEMBL450692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFPBBOCDGYBNBR-TZOIZJCJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.42
ALogP
9
HBA
0
HBD
83.1
PSA (Ų)
0.42
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.16 | 5.045 | 6900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6900.0 | nM | 5.16 | Antimalarial activity after 72 hrs against chloroquine-resistant Plasmodium falc... | 19084416 |
| Plasmodium falciparum | IC50 | = | 11800.0 | nM | 4.93 | Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falc... | 19084416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19084416 | 10.1016/j.bmc.2008.11.050 | Plasmodium falciparum | 2 |
| 19084416 | 10.1016/j.bmc.2008.11.050 | Unchecked | 2 |
| 19084416 | 10.1016/j.bmc.2008.11.050 | Vero | 1 |
Data from ChEMBL 36 via Core Engine