Compound Detail
CHEMBL3104868
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
COc1cc(/C=C/C(=O)OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3104868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVTJETXSTYXTDR-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
3.65
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2500.0 | nM | 5.6 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24326280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24326280 | 10.1016/j.bmc.2013.11.032 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine