Compound Detail
CHEMBL2063630
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
Basic Information
| ChEMBL ID | CHEMBL2063630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYFVOFGCWUSMHF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.99
ALogP
8
HBA
4
HBD
82.7
PSA (Ų)
0.21
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.75 | 5.565 | 1800.3 | 2 |
| CHO CHEMBL613853 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1800.32 | nM | 5.75 | Antimalarial activity against asexual erythrocyte stages of chloroquine-sensitiv... | 22889556 |
| Plasmodium falciparum | IC50 | = | 4166.67 | nM | 5.38 | Antimalarial activity against asexual erythrocyte stages of chloroquine-resistan... | 22889556 |
| CHO | IC50 | = | 8100.0 | nM | 5.09 | Cytotoxicity against CHO cells by MTT assay | 22889556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22889556 | 10.1016/j.ejmech.2012.07.037 | Plasmodium falciparum | 3 |
| 22889556 | 10.1016/j.ejmech.2012.07.037 | No relevant target | 2 |
| 22889556 | 10.1016/j.ejmech.2012.07.037 | CHO | 1 |
| 22889556 | 10.1016/j.ejmech.2012.07.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine