Compound Detail
CHEMBL575910
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 | CHEMBL575910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLDSDTDHHGVHLX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
5.08
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.25 | 6.205 | 557.0 | 2 |
| KB CHEMBL398 | IC50 | 4.59 | 4.59 | 25600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 557.0 | nM | 6.25 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | 19811859 |
| Plasmodium falciparum | IC50 | = | 695.0 | nM | 6.16 | Antimalarial activity against chloroquine-susceptible Plasmodium falciparum 3D7 ... | 19811859 |
| KB | IC50 | = | 25600.0 | nM | 4.59 | Cytotoxicity against human KB cells after 72 hrs by Alamar blue assay | 19811859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19811859 | 10.1016/j.ejmech.2009.09.012 | Plasmodium falciparum | 2 |
| 19811859 | 10.1016/j.ejmech.2009.09.012 | Leishmania donovani | 1 |
| 19811859 | 10.1016/j.ejmech.2009.09.012 | KB | 1 |
Data from ChEMBL 36 via Core Engine