Compound Detail
CHEMBL446646
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 | CHEMBL446646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIOKYXLEPNCZLM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.2
MW (Da)
4.78
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.81 | 4.8 | 15400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of Plasmodium falciparum KAS3 expressed in Escherichia coli assessed ... | 19191586 |
| Plasmodium falciparum | IC50 | = | 15400.0 | nM | 4.81 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 by ... | 19191586 |
| Plasmodium falciparum | IC50 | = | 16400.0 | nM | 4.79 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum W2 by ... | 19191586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191586 | 10.1021/jm8008103 | Plasmodium falciparum | 2 |
| 19191586 | 10.1021/jm8008103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine