Compound Detail
CHEMBL4242609
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Basic Information
| ChEMBL ID | CHEMBL4242609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEBQWJQZKAMOEK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.9
MW (Da)
5.36
ALogP
3
HBA
2
HBD
37.2
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 5.79 | 1000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 29571157 |
| Plasmodium falciparum | IC50 | = | 1400.0 | nM | 5.85 | Gametocytocidal activity against Plasmodium falciparum 3D7 elo1-pfs16-CBG99 late... | 29571157 |
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 29571157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29571157 | 10.1016/j.ejmech.2018.03.024 | Plasmodium falciparum | 5 |
| 29571157 | 10.1016/j.ejmech.2018.03.024 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine