Compound Detail
CHEMBL4242704
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Basic Information
| ChEMBL ID | CHEMBL4242704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGVNLOMJZQQPDF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4300227 |
| Active Moiety | CHEMBL4300227 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.8
MW (Da)
6.12
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.26 | 5.92 | 550.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 550.0 | nM | 6.26 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 29571157 |
| Plasmodium falciparum | IC50 | = | 660.0 | nM | 6.18 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 29571157 |
| Plasmodium falciparum | IC50 | = | 4800.0 | nM | 5.32 | Gametocytocidal activity against Plasmodium falciparum 3D7 elo1-pfs16-CBG99 late... | 29571157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29571157 | 10.1016/j.ejmech.2018.03.024 | Plasmodium falciparum | 3 |
| 29571157 | 10.1016/j.ejmech.2018.03.024 | Phosphoethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine