Compound Detail
CHEMBL410334
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
COc1ccc(-n2nc(/C=C/c3ccc(O)c(OC)c3)cc2/C=C/c2ccc(O)c(OC)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL410334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPMPHNSCFMDHQM-KBXRYBNXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
5.65
ALogP
7
HBA
2
HBD
86.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.65 | 4.63 | 22600.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 22600.0 | nM | 4.65 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCK2 | 18194869 |
| Plasmodium falciparum | IC50 | = | 24560.0 | nM | 4.61 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum MP14 | 18194869 |
| Unchecked | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of goat brain tubulin polymerization assessed as turbidity by UV spec... | 21830815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18194869 | 10.1016/j.bmc.2007.12.054 | Plasmodium falciparum | 4 |
| 21830815 | 10.1021/jm2004046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine