Compound Detail
CHEMBL153430
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Basic Information
| ChEMBL ID | CHEMBL153430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYQOVCYTBVMXKJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.1
MW (Da)
4.55
ALogP
6
HBA
2
HBD
43.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.94 | 7.94 | 11.4 | 2 |
| ScN2a CHEMBL613872 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.4 | nM | 7.94 | In vitro antimalarial activity against Plasmodium falciparum FcB1 | 12570376 |
| Plasmodium falciparum | IC50 | = | 11.4 | nM | 7.94 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 16913719 |
| ScN2a | EC50 | = | 90.0 | nM | 7.05 | Inhibition of scrapie prion formation in mouse ScN2a cell line relative to contr... | 16913719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913719 | 10.1021/jm0602763 | ScN2a | 4 |
| 16913719 | 10.1021/jm0602763 | MRC5 | 2 |
| 12570376 | 10.1021/jm020960r | Plasmodium falciparum | 1 |
| 12570376 | 10.1021/jm020960r | MRC5 | 1 |
| 16913719 | 10.1021/jm0602763 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine