Compound Detail
CHEMBL409639
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/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccc(Cl)cc3Cl)n2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL409639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEPHGLUCGJHXGZ-BQYBEJQRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.4
MW (Da)
6.95
ALogP
6
HBA
2
HBD
76.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.33 | 5.325 | 4650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4650.0 | nM | 5.33 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCK2 | 18194869 |
| Plasmodium falciparum | IC50 | = | 4800.0 | nM | 5.32 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum MP14 | 18194869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18194869 | 10.1016/j.bmc.2007.12.054 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine