Compound Detail
CHEMBL85223
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Basic Information
| ChEMBL ID | CHEMBL85223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQVQHBMHARIASC-ZEVSTDPBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.33
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.19 | 8.19 | 6.5 | 3 |
| Unchecked CHEMBL612545 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.5 | nM | 8.19 | In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... | 12773055 |
| Plasmodium falciparum | IC50 | = | 6.5 | nM | 8.19 | Antimalarial activity against Plasmodium falciparum NF54 | 16527481 |
| Plasmodium falciparum | IC50 | = | 6.5 | nM | 8.19 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 | - |
| Plasmodium falciparum | IC50 | = | 6.5 | nM | 8.19 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773055 | 10.1021/jm020584a | Mus musculus | 7 |
| 12773055 | 10.1021/jm020584a | Unchecked | 1 |
| 16527481 | 10.1016/j.bmcl.2006.02.059 | Plasmodium falciparum | 1 |
| - | 10.1039/C2MD00277A | Plasmodium falciparum | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine