Compound Detail
CHEMBL398404
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Basic Information
| ChEMBL ID | CHEMBL398404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRJYOYSCGRBTPQ-XNIJJKJLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
-0.12
ALogP
10
HBA
5
HBD
137.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.96 | 4.905 | 10960.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10960.0 | nM | 4.96 | Antimalarial activity against chloroquine, pyrimethamine and cycloguanil-resista... | 17548196 |
| Plasmodium falciparum | IC50 | = | 14200.0 | nM | 4.85 | Antimalarial activity against drug-sensitive Plasmodium falciparum 3D7 after 24 ... | 17548196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17548196 | 10.1016/j.bmc.2007.05.038 | Plasmodium falciparum | 2 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Unchecked | 2 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | KB | 1 |
Data from ChEMBL 36 via Core Engine